Acta Crystallographica Section A
Acta Crystallographica
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FOUNDATIONS
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Volume 52| Part a1

ISSN: 2053-2733

August 1996 issue

Abstracts of the XVII IUCr Congress

Seattle, USA, 8-17 August 1996

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abstracts

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Multiwavelength anomalous diffraction (MAD) in macromolecular structure determination

W. A. Hendrickson

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Novel crystal physics under pressure

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Preferences and exceptions in organic crystal packing modes

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Reliability of protein structure determination

T. A. Jones and G. J. Kleywegt

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Structures of surfaces studied by X-ray diffraction

R. Feidenhans'l

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Designer crystals: intermolecular interactions, network structures and supramolecular synthons

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Lessons from the high-resolution crystallography of protein–DNA complexes

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Crystallography of earth and planetary interiors

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New opportunities in X-ray crystallography at third-generation synchrotron sources

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The structure of bovine mitochondrial F1-ATPase – an example of rotational catalysis?

A. G. W. Leslie, J. P. Abrahams, M. van Raaij, R. Lutter and J. E. Walker

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Modern powder diffraction in materials science

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Applied physics of quasicrystals and applications

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Crystallization and crystal structure of beef heart cytochrome c oxidase

S. Yoshikawa, K. Shinzawa-Itoh, R. Nakashima, R. Yaono, T. Tsukihara, H. Aoyama, E. Yamashita, T. Tomizaki and H. Yamaguchi

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The role of crystallography for better high T_c superconductors

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The crystal packing of organic small molecules

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The integration of structure-based drug design and combinatorial chemistry for efficient drug discovery

F. Raymond Salemme

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Sensors and actuators: smart crystals

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Helical polyamides and rings: a bridge between nylons and proteins

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Studies on the loading and recognition of antigens on MHC molecules

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Structural chemistry of organic–inorganic mesophases

A. Monnier, C. C. Landry and G. D. Stucky

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Protein structures: their validation fold classification and interactions

J. M. Thornton, E. G. Hutchinson, S. Jones, R. A. Laskowski, M. W. MacArthur, A. Michie and C. M. Orengo

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Direct methods in real and reciprocal space

G. M. Sheldrick

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Neutron diffraction studies of coordination and organometallic compounds

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The SAS maximal principle

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Light, charge, and protein structures

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Direct methods

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The development of slow neutron spectroscopy: 1950–1965

B. N. Brockhouse

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Protein crystallography and computing: recollections of the 50s

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The ideal allosteric enzyme

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Cryocrystallography: smoothing the path to success

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Kinetic studies on cytochrome cd₁ nitrite reductase

P. A. Williams, V. Fülöp, E. F. Garman and J. Hajdu

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Low-temperature techniques in macromolecular crystallography

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Cryocrystallography of viruses

B. R. S. Temple

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High resolution (1.05 Å) structure of Salmonella typhimurium neuraminidase (sialidase)

E. Garman, J. Wouters, E. Vimr, G. Laver and G. M. Sheldrick

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The cooling rate during shock freezing in macromolecular crystallography

T.-Y. Teng and K. Moffat

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A cryo-crystallographic redox study of the structural changes caused by mutation of key amino acids at the FMN binding site of a flavodoxin

M. A. Walsh, A. McCarthy, T. Higgins, P. O'Farrell and S. G. Mayhew

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Low-temperature structure of the thrombin–hirugen complex at 1.7 Å resolution

S. P. Bajaj, I. I. Matthews, J. H. Matthews and A. Tulinsky

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Composition of crystallites resulted from freezing of water solutions of biomolecules at cryogenic temperatures

M. V. Kosevich, V. S. Shelkovsky, O. A. Boryak and I. O. Stepanov

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Cryogenic mounting, archiving and transportation of biological macromolecular crystals

S. Parkin, B. Rupp and H. Hope

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Cryocrystallography of 3-isopropylmalate dehydrogenases at 100 and 150 K

N. Tanaka, C. Nagata, H. Moriyama, T. Oshima, M. Nakasako, M. Yamamoto and T. Ueki

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High-energy X-ray scattering versus neutron diffraction

J. R. Schneider

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Kossel technique by means of synchrotron beam excitation - a new method for material characterization

H.-J. Ullrich, J. Bauch and R. Röder

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Simultaneous micro XRF/XRD analysis of highly inhomogeneous samples

A. Rindby, P. Engström and K. Janssens

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Protein crystallography using capillary-focused X-rays

Z. Barnea, D. X. Balaic, K. A. Nugent, R. F. Garrett, J. N. Varghese and S. W. Wilkins

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A hard X-ray waveguide for submicrometer coherent beam production

S. Lagomarsino, W. Jark, S. Di Fonzo, A. Cedola and C. Riekel

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X-ray phase plate to characterize the polarisation of an helical undulator source at 2.8 keV

C. Malgrange, J. Goulon, C. Giles, C. Neumann, A. Rogalev, E. Moguiline and F. de Bergevin

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A free-electron laser X-ray source: description and science

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A new method for the detection of synchrotron- and electron-excited Kossel reflexes

J. Bauch, H.-J. Ullrich and R. Röder

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Curved image-plates for synchrotron radiation high-resolution powder diffraction and studies of amorphous systems

G. Bushnell-Wye, J. L. Finney, R. O. Piltz, J. K. Walters and J. D. Wickes

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First results from the new Daresbury chemical/materials single-crystal diffraction beamline 9.8

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X-ray capillary optics test and applications on an undulator beamline at ESRF

P. Engström and C. Riekel

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Resonance scattering studies of mixed-valence manganese complexes

V. Kezerashvili, A. Darovsky, T. Weyhermüller and P. Coppens

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Instrumentation for X-ray fibre diffraction under industrial processing conditions

A. Mahendrasingam

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XANES registration by electron-beam position scanning for time-resolved experiment

S. G. Nikitenko, B. P. Tolochko, A. N. Aleshaev, G. N. Kulipanov and S. I. Mishnev

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Vacuum chamber for synchrotron powder diffraction

B. Palosz, S. Gierlotka, S. Stel'makh, S. Doyle and T. Wroblewski

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Laue data refinement of the crystal structure of stanfieldite, data collected at CHESS using undulator radiation with image plates in a cylindrical film cassette

J. J. Pluth, I. M. Steele, A. LeGrande and Z. Ren

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An incident X-ray beam monitor for use with protein crystallography at a synchrotron source

F. J. Rotella and R. W. Alkire

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New high- and low-temperature facilities for powder diffraction at Daresbury Laboratory

C. C. Tang, G. Bushnell-Wye, R. J. Cernik and S. M. Clark

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Kossel technique by means of synchrotron beam excitation – a new method for material characterization

H.-J. Ullrich, J. Bauch and R. Röder

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A sagittal focusing and scanning monochromator for 8–80 keV synchrotron radiation at DORIS III

R. G. van Silfhout and S. van Dijken

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X-ray imaging of polycrystalline and amorphous materials

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The proposal of the diffraction experiment with nanosecond time resolution. The first test experiments with prototype

G. N. Kulipanov, S. I. Mishnev and B. P. Tolochko

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The four-circle diffractometer at ELETTRA

R. Spagna, L. Barba, M. Camalli, A. Cassetta, M. Catricala', C. Marciante, A. Pifferi, M. Colapietro and G. Portalone

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Three-dimensional diffuse X-ray scattering from staphylococcal nuclease

M. E. Wall, S. M. Gruner and S. E. Ealick

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Recent advances in experimental phase determination using three-beam diffraction

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Accurate high-resolution phases from MAD analysis: experiment and comparison of phasing methods

W. I. Weis, K. M. Flaherty, F. Temple Burling and A. T. Brunger

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Xenon and krypton as heavy atoms and anomalous scatterers

M. Schiltz and T. Prangé

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Direct methods phasing of a 450-atom structure

G. Privé and D. Eisenberg

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Synchrotron radiation for high-resolution data collection

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Optimising synchrotron facilities for data collection in protein crystallography

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A protein crystallography station for multiwavelength anomalous dispersion at the SRS

E. M. H. Duke, S. M. McSweeney, S. H. Kinder, S. G. Buffey, M. W. Bailey, R. C. Kehoe, P. W. Atkinson and C. Nave

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Construction of the biocrystallography (MIROAS) beamline at the SPring-8

N. Kamiya, Y. Kawano, T. Uruga, H. Kimura, T. Ishikawa and H. I. Kitamura

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A new synchrotron MAD data acquisition method: simultaneous multi-wavelength anomalous diffraction (SMAD)

P. L. Lee and C. M. Ogata

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X-ray diffuse scattering from a lysozyme crystal analysed with a rigid-body model of displacements

J. Perez, Ph. Faure and J.-P. Benoit

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Detectors and data processing: optimised anomalous scattering, high-resolution and dynamical studies

J. R. Helliwell

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Comparison of imaging-plate and CCD-based X-ray detectors for macromolecules

Y. Amemiya and K. Ito

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Imaging-plate data processing focused on chemical crystallography

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An extremely fast direct photon-counting detector for protein crystallography

N. H. Xuong, P. Datte, E. Beuville, T. Earnest, H. Padmore, J. Millaud and D. Nygrent

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The development of MAD protein crystallography at the ESRF

A. Thompson, V. Biou, L. Claustre, F. Felisaz, A. Thompson, A. Gonzalez, J. Helliwell, J. L. Smith, A. Hammersley and P. Thorander

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A commercial CCD detector for X-ray diffraction fully implemented on a third-generation synchrotron source

J. F. Fait, J. L. Chambers, J. C. Phillips and E. Hovestreydt

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Modular CCD-based detector for crystallography at synchrotron beamlines

A. Stewart, W. Phillips, M. Stanton and D. O'Mara

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Imaging plate ST-V and large IP reader IPR4080

N. Sakabe, N. Watanabe, M. Suzuki, J. Miyahara, K. Sasaki and K. Sakabe

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Imaging plates as an integrating area detector for X-ray scattering and diffraction of polymers

M. Dosiäre and C. Dammer

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Time-resolved protein data collection system with large imaging plate

K. Sakabe, N. Kamiya, N. Watanabe, S. Adachi, K. Sasaki, S. Ikemizu, T. Higashi and N. Sakabe

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Rotating anode/area-detector data collection of axes >300 Å and new rapid calibration method

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An analysis of data collection strategies and data reduction software for image-plate data

B. Hu, J. Rose and B.-C. Wang

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Studies of the synthesis and transformation of materials using in situ time-resolved powder diffraction

J. C. Hanson, J. Aruajo, P. Norby, A. N. Christensen, K. Ståhl, G. Artioli and A. Gualtieri

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The effect of various nucleating agents upon the crystallisation of cordierite glass cermaic

S. M. Clark, G. N. Greaves, M. Oversluzien, G. Sankar and J. M. Thomas

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High-resolution single-crystal diffraction using synchrotron radiation

H. Graafsma, O. Svensson and A. Kvick

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Structure determination of micrometer and submicrometer single crystals with synchrotron radiation

R. B. Neder, M. Burghammer, T. Grasl and H. Schulz

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Application of micro-beam to minerals in a thin section of meteorite and structure refinement

K. Ohsumi, M. Uchida, K. Hagiya, M. Miyamoto and M. Ohmasa

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Structural investigations on microcrystals with a highly collimated synchrotron beam

A. Bram, S. Fiedler and C. Riekel

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Microdiffraction on Be single crystals with synchrotron radiation

S. Fiedler, A. Bram, C. Riekel and M. Burghammer

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Diffraction anomalous fine structure at the ESRF by using dispersive and monochromatic diffraction

J. L. Hodeau, J. Vacinova, H. Renevier, P. Wolfers, J. F. Berar, M. Hagelstein and A. San Miguel

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Helicity switchable high-energy X-ray phase retarder

J. C. Lang, G. Srajer, S. Shastri, D. Haeffner and D. Mills

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Crystal structure determination of barium oxalate, BaC₂O₄·3.5H₂O/D₂O

A. N. Christensen and R. B. Neder

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Anomalous dispersion applied to a tin-mordenite powder sample at the ESRF

A. F. Jensen, P. Norby, J.-L. Hodeau, H. Graafsma, A. Kvick and J.-E. Jørgensen

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Applications of energy-dispersive diffraction with synchrotron radiation

P. Suortti and V. Honkimäki

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Structure determination of organic microcrystal

Y. Takenaka, K. Tanaka, W. Nagai, M. Uchida, N. Suda and K. Ohsumi

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The performance of X-ray detectors based on image plates

M. Thoms, R. Fasbender, N. Gloser, A. Kinne and A. Winnacker

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Preliminary analysis of CCD data for oxalic acid dihydrate at 100 K

A. A. Pinkerton, C. F. Campana and M. R. Pressprich

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Two-dimensional high-resolution X-ray detectors for imaging and intensity measurements

F. Fandrich and R. Köhler

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Comparison of single-crystal structure determinations with area and single-point detector diffractometers

M. S. Legge and A. G. Orpen

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Comparison of five high-resolution X-ray data sets of DL-aspartic acid measured at 20 K

D. Zobel, R. Flaig, P. Luger and H.-G. Krane

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Data-collection strategy with a CCD detector on a four-circle goniometer

L. Häming and G. M. Sheldrick

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Catching a peak by the tail: intensity correction for the finite size of the 'seed-skewness' peak mask

R. Bolotovsky and P. Coppens

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Integrated beamline control for protein crystallography

R. M. Sweet and J. M. Skinner

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On experiences with an image-plate detector combined with a single-crystal diffractometer

Th. Huber, J. Lange, H. Burzlaff, M. Thoms and A. Winnacker

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A novel large area CCD detector for four-circle diffractometers

D. Kucharczyk, M. Meyer, W. A. Paciorek and G. Chapuis

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Thermal diffuse scattering corrections for single-crystal diffraction data from area detectors

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Four-circle diffractometer and small-area position-sensitive detector

M. Meyer, W. A. Paciorek and G. Chapuis

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BIOTEX: a suite of programs for the collection, reduction and interpretation of area-detector data

J. W. Pflugrath, C. L. Day, D. Chen, J. D. Ferrara, P. N. Swepston, J. M. Troup, B. R. Vincent, L. Xiong, R. A. Jacobson and T. Higashi

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Structure analysis of twinned crystals of [Ti₁₈O₂₈H](OBu^t)₁₇

M. R. Pressprich, R. A. Sparks, C. F. Campana, Y. W. Chen and V. W. Day

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Enumeration of anomaly/peak bases and edge detection in two-dimensional intensity histograms. Application of graph theory to crystallographic data imaging

J. H. Reibenspies

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Fewer structure determination errors with the SMART CCD system

R. A. Sparks and C. F. Campana

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Quantum magnetic excitation in high-T_c superconductors and the related materials

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Inelastic neutron scattering studies of dihydrogen and hydride ligands in transition metal complexes

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Dynamical and structural studies of ferroelectric salts

A. V. Belushkin

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Neutron scattering investigations of the dynamics of thin films adsorbed on solid surfaces

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The nature of methane/rare gas matrices

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High-resolution neutron spectroscopy of biological materials

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Analysis of anisotropic SANS patterns obtained from Ni–Al–Mo alloys with bimodal particle size distributions

H. A. Calderon, J. G. Caba-As-Moreno, J. J. Cruz and J. S. Pedersen

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Study of coherency strain effect on the coarsening in Ni–Al–Si alloys by neutron techniques

H. Chen and G. Muralidharan

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Low melting point organic crystal structures by high-resolution neutron powder diffraction

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Direct observation of hydrogen–deuterium exchange in cobaloxime crystals by neutron diffraction

Y. Ohgo, Y. Ohashi, W. T. Klooster and T. F. Koetzle

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Study of the critical dynamics of isotropic Heisenberg ferromagnets by neutron scattering

S. Schorr and F. Mezei

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Coordination arrangements in surface reconstructions of transition metals studied by low-energy electron diffraction

K. A. R. Mitchell, W. Liu, D. T. Vu, Y. M. Wang and K. C. Wong

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Reflection high-energy electron diffraction and surface atomic structures

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Photoelectron and Auger electron diffraction of surfaces, interfaces and epitaxial films – a brief overview

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New technique for surface crystallography: direct inversion of Kikuchi electron patterns

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The scanning-tunneling atom probe. Point reflection microscopy

J. C. H. Spence, J. Zuo, U. Weierstall and X. Zhang

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Surface Structure Database (SSD): Version 2

M. A. Van Hove, K. Hermann and P. R. Watson

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Neutron reflection from molecular films

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End-grafted polystyrene brushes in critical binary mixtures

S. K. Satija, P. D. Gallagher, A. Karim and L. Fetters

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Neutron scattering studies of near-surface effects on structures in surfactant systems

W. A. Hamilton, P. D. Butler, J. B. Hayter, L. J. Magid and Z. Han

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Interfaces and thin polymer films as seen by X-ray and neutron reflectivity technique

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Polarized neutron reflectometry with polarization analysis: an ultra-sensitive tool for the magnetism of thin films

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Offspecular scattering from optical gratings

J. R. P. Webster, A. Zarbakhsh and R. M. Richardson

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New multidetectors and monochromators on ILL neutron powder diffractometers

P. Convert, P. Radaelli and A. Hewat

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A new powder neutron diffractometer at the JEEP II reactor at Kjeller in Norway

B. C. Hauback, H. Fjellvaag and O. Steinsvoll

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Two new time-of-flight neutron powder diffractometers at KENS

T. Kamiyama, K. Oikawa, M. Furusaka, S. Satoh and F. Izumi

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Characteristic and optimization of an image-plate neutron detector

Y. Karasawa, N. Niimura, T. Yamada, A. Moriai, K. Takahashi, S. Tazaki and J. Miyahara

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Progress in small-angle neutron scattering at the Institut Laue Langevin

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Advanced neutron diffraction for microstructure analysis of polycrystalline materials

P. Mikula, P. Lukas, M. Vrana, P. Strunz and V. Wagner

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Design and performance of the new time-of-flight small-angle neutron diffractometer SAND at IPNS

P. Thiyagarajan, R. K. Crawford, J. E. Epperson, F. Trouw, R. Kleb, D. Wozniak and D. Leach

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Using Bragg optics for high-resolution neutron powder difraction

V. Wagner, P. Luká, P. Mikula, J. Aroun and M. Vrána

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Angle-dispersive time-of-flight diffraction using the ISIS spallation source

G. Will, W. Schafer, E. Jansen, H. Tietze-Jaentsch and W. Kockelmann

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Electrons and X-rays working together to visualize antibody–rhinovirus interactions

T. S. Baker, T. J. Smith and N. H. Olson

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Comparison of two structures of bacterial light-harvesting complexes determined by EM and X-ray crystallography

H. Savage, G. Montoya and I. Sinning

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Understanding muscle contraction by combining crystallography, cryo-EM and fibre diffraction

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Combining cryo-EM and X-ray diffraction structure results for spherical viruses

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Optimal modeling of electron microscopic three-dimensional reconstructions using components of known atomic structure

J. Tang, E. Blanc and M. S. Chapman

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An efficient and convenient method for recording low-temperature X-ray diffraction photograph

S. A. Chawdhury

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The Fddd diffractometer: hardware innovations and a study of [Zn(H₂O)₆][C₆H₂(COOH)₂(COO)₂]

R. C. B. Copley, C. W. Lehmann, J. A. K. Howard, K. Wade, G. Walker, J. M. Archer and K. N. Trueblood

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Examination of high-angle double-crystal X-ray diffractometry (HADOX)

Y. Fujii, Y. S. Soejima and A. Okazaki

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The 'tilter': a novel polarimeter for fast optical-activity measurements in birefringent crystal sections

A. M. Glazer and W. Kaminsky

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Monochromatic X-ray intensities via a 'balanced' tube experiment

S. Maes and A. T. H. Lenstra

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On the use of laboratory EXAFS spectrometer with Siemens 18 kW rotating anode

B. Mierzwa, Z. Kaszkur and J. Pielaszek

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Biocrystallography at the high-brilliance beamline (ID2) of the ESRF

E. P. Mitchell, A. Åberg, J. Shaw, S. Wakatsuki, D. Spruce, L. Claustre, P. Bösecke, O. Diat and B. R. Rasmussen

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A high-precision spectrometer for the absolute determination of X-ray absorption edges as calibration standards

J. Stümpel and P. Becker

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Novel systematic purification method development to rapidly obtain high-purity biological molecules for crystallography studies

D. J. Vanderburgh, P. R. Carberry and M. Meys

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High-speed digital X-ray spectrometer with time resolution capability

W. K. Warburton, B. Hubbard and C. Zhou

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A container for the transport of mounted crystals

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Electron diffractometry and crystal structure of brucite

A. P. Zhukhlistov, A. S. Avilov, G. Ferraris, B. B. Zvyagin and V. P. Plotnikov

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X-ray diffraction at non-ambient temperature conditions

B. Koppelhuber-Bitschnau, F. A. Mautner and P. Doppler

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The analysis of macromolecules under aqueous and non-aqueous conditions determining the particle size distribution and molecular weight distribution using low- and right-angle laser light scattering and photon correlation spectroscopy (PCS) detection with size exclusion chromatography

T. Havard and P. Wallace

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Picosecond time-resolved X-ray diffraction from single crystals

P. M. Rentzepis, P. Chen and I. V. Tomov

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Cryocrystal structure analysis and applications to reaction intermediates

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Small-molecule structures with large-molecule problems

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Structures with Z′ > 1: problems and opportunities

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The solution and refinement of structures with X-ray diffraction data from twinned crystals

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The application of Shake and Bake to unsolved structures

B. C. Haltiwanger and D. S. Eggleston

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Structure determination using CCD area detector - how small a crystal is too small?

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Modeling crystal structures with disorder using the SHELXTL 5.0 software package

I. F. Burshtein and C. F. Campana

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A new extension of the 'learnt-profile' method

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Commensurate structures describable in terms of degenerate irreducible representations

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Examples of non-routine applications for CCD-based detector systems in the field of small-molecule crystallography

C. F. Campana and E. R. Hovestreydt

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X-ray crystal structure analysis by a new diffractometer using imaging plates

H. Uekusa and Y. Ohashi

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Structure determination of glucosamine-6P synthase: fighting against pseudosymmetry

A. Teplyakov and M. N. Isupov

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Troublesome perchlorates

R. G. Hazell and A. Hazell

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A multiple wavelength structure analysis of KTaO₃

H.-G. Krane, A. Kirfel and K. F. Fischer

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Meriedric twinning in new CoSi₃P₃ semiconducting compound. Crystal structure and Raman spectroscopy

H. Vincent, J. Kreisel, O. Chaix-Pluchery and R. Madar

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trans-5-Hydroxycyclooctyltrimethyl stannane: a structure in spacegroup Cc described as a displacive modulation of a P2₁/c parent structure

A. C. Willis and A. D. Rae

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Structure determination of PbZrO₃ using X-ray anomalous dispersion

K. Yamasaki, Y. Soejima and K. F. Fischer

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Interesting information from modeling and refinement of disordered molecular structures

H.-K. Fun and K. Sivakumar

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Small crystals are often poor crystals – why?

M. M. Harding and R. J. Rule

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Time-resolved macromolecular crystallography

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Visualizing catalytic intermediates and structural mechanism for isocitrate dehydrogenase using steady-state and single-turnover Laue experiments

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The synthesis of nitric oxide in cytochrome cd₁ nitrite reductase

V. Fülöp, P. Williams and J. Hajdu

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Nanosecond time-resolved macromolecular crystallography: photolysis of carbonmonoxy myoglobin

V. Srajer, T.-Y. Teng, T. Ursby, C. Pradervand, Z. Ren, S. Adachi, W. Schildkamp, D. Bourgeois, M. Wulff and K. Moffat

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Intermediates in the reaction pathway of cytochrome P450cam

I. Schlichting, J. Berendzen, K. Chu, A. M. Stock, M. Davies, E. J. Mueller, S. Sligar, R. M. Sweet, D. Ringe and G. A. Petsko

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Time-resolved Laue crystallography: application to the photocycle of photoactive yellow protein

Z. Ren, K. Ng, U. K. Genick, G. E. O. Borgstahl, D. E. McRee, E. D. Getzoff, C. Pradervand, W. Schildkamp and K. Moffat

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Structure analysis by means of temperature jump coupled with the Laue method

H. Moriyama, N. Igarashi, A. Ikezaki and N. Tanaka

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Time-resolved Laue studies from dienelactone hydrolase and porphobilinogen deaminase

P. D. Carr, A. Robinson, D. L. Ollis, A. Hädener, A. C. Niemann, J. R. Helliwell, J. Habash, A. Cassetta, T. Ursby, D. Bourgois, F. Schotte and M. Wulff

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Laue studies on acetylcholinesterase

M. L. Raves, R. B. G. Ravelli, J. Kroon, M. Roth, D. Bourgeois, L. Peng, M. Goeldner, I. Silman and J. L. Sussman

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The Daresbury Laboratory Laue Software Suite

S. Arzt, J. W. Campbell, Q. Hao, D. Nguti, M. M. Harding, J. R. Helliwell, G. Bradbrook, J. Habash, Y. P. Nieh and E. H. Snell

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Bayesian approach to the analysis of time-resolved protein Laue diffraction data

G. P. Bourenkov, A. N. Popov and H. D. Bartunik

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Structure determination of helical and hairpin peptides with up to 30 residues per asymmetric unit

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Applications of SnB to proteins

R. Miller and C. M. Weeks

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Application of direct methods in electron crystallography

H.-F Fan, Z.-H. Wan and Y.-D. Mo

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Crystal structures from powder data by direct methods

W. Lasocha, R. Peschar, J. Jansen and H. Schenk

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Intensity statistics and direct methods for incommensurately modulated crystals

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Phase determination and extension using X-ray multiple diffraction and maximum entropy method

S.-L. Chang and C.-M. Wang

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On the expansion of Karle–Hauptman determinants into multiplets and the maximum entropy rule

O. E. Piro, C. de Rango, G. Tsoucaris and G. Navaza

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Discrete Hilbert transforms and the phase problem in crystallography

A. F. Mishnev and S. V. Belyakov

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Unique phase problem solutions from reduced density matrices: are they correct?

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Integrated direct method with anomalous scattering: triplets – second neighbourhood

D. Velmurugan and D. Subhashini

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Integrated direct method with isomorphous replacement – second neighbourhood of quintets

D. Subhashini and D. Velmurugan

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Integrated direct method with anomalous scattering: sextets

S. Banumathi, D. Subhashini and D. Velmurugan

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CRUNCH: solving structures using Karle–Hauptman matrices

R. A. G. de Graaff and R. de Gelder

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Joint probability distributions of structure factors in case of incommensurately displacive modulations

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New developments of the twin variables approach to the crystal structure determination

G. Tsoucaris, A. Mishnev and A. Hountas

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Development of SnB version 2

C. M. Weeks and R. Miller

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Direct determination of phase from three-beam convergent-beam diffraction patterns of centrosymmetric crystals

J. Etheridge, A. F. Moodie and C. J. Humphreys

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Phase determination by dual space methods of electron crystallography: a comparison of I23 and I2₁3 structural phases

A. Schwartzman, P. Goodman and A. W. S. Johnson

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Refinements of heavy-atom and protein parameters against a highly accurate MAD data set

A. T. Brunger, F. T. Burling, K. M. Flaherty and W. I. Weis

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The analytical approach of phasing by multiwavelength anomalous diffraction (MAD)

H. Wu and W. A. Hendrickson

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Treatment of MAD data as a special case of MIR

V. Ramakrishnan, V. Biou, F. Shu and R. M. Sweet

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SHARP: maximum-likelihood refinement of heavy-atom parameters in the MIR and MAD methods

E. de la Fortelle and G. Bricogne

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Data reduction and scaling for MAD (with some comments on phase determination)

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Designer labels: useful tools or just another fad?

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Structure solution of an integral membrane protein: novel derivatization methods

S. M. Prince, M. Z. Papiz, G. Mcdermott, A. M. Hawthornthwaite-Lawless, A. A. Freer, R. J. Cogdell and N. W. Isaacs

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Structure of a type III AFP phased by the anomalous signal of a single iodine atom using Cu Kα radiation

D. S. C. Yang, S. Bubanko, Y. Q. Xue, J. Seetharaman, C. L. Hew, G. L. Fletcher and F. Sicheri

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An application of genetic engineering for solving the crystal structure of TAQ DNA polymerase

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MAD phasing used in the structure determination of desulfoferrodoxin

A. Coelho, P. M. Matias, M. A. Carrondo, V. Fülöp, A. Gonzalez and A. Thompson

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Multiple anomalous dispersion at the K-absorption edge of sulfur with bovine trypsin

S. Stuhrmann, K. S. Bartels and H. B. Stuhrmann

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Envelope determination in macromolecular crystallography by the MASC method

M. Ramin, W. Shepard, R. Kahn, R. Fourme, I. M. Li de La Sierra, G. Grübel, A. Thompson, A. Gonzales and M. S. Lehmann

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Improved phases, phase error estimates and anomalous scattering models from the multiwavelength anomalous diffraction (MAD) of native protein metal clusters

B. R. Crane and E. D. Getzoff

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SIMPROT: a program in development for crystal structure determination of proteins

F. R. Seljee, R. Peschar and H. Schenk

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Supramolecular structures from high-resolution powder diffraction

R. E. Dinnebier

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Solution and refinement of drug structures from powder data

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Zeolite structure determination from powder data: computer-based incorporation of chemical information

R. W. Grosse-Kunstleve, L. B. McCusker and Ch. Baerlocher

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Powder structures from limited data sets

D. M. Poojary and A. Clearfield

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Determination of molecular crystal structures from X-ray powder diffraction by Monte Carlo methods

M. J. Tremayne, B. M. Kariuki and K. D. M. Harris

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Crystal chemistry from powder data

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Information on symmetry in powder diffraction data

M. Ohmasa, K. Ohsumi and H. Toraya

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The tangent formula derived from Patterson function arguments: a useful tool for solving zeolite structures from X-ray powder data

J. Rius and C. Miravitlles

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Direct phasing from powder data: the extra optimized procedure

C. Giacovazzo, A. Altomare, G. Cascarano, A. Guagliardi, A. G. G. Moliterni, M. C. Burla and G. Polidori

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A new Monte Carlo approach to structure solution from powder data

Y. G. Andreev, P. Lightfoot and P. G. Bruce

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Solving crystal structures from powder data: EXTRA and SIRPOW packages

M. C. Burla, A. Altomare, G. Cascarano, C. Giacovazzo, A. Guagliardi, A. G. G. Moliterni and G. Polidori

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Ab initio structure determination by the maximum entropy and likelihood method using powder diffraction data and the concept of hyperoctant phase angles

W. Doug and C. J. Gilmore

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Structure determination from powder data using symmetry adapted functions: SIMREF22

J. Ihringer and H. Ritter

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Crystal structure determination of two polymorphic phases of lanthanum nitrate tetrahydrate from X-ray powder diffraction

M. Louër, A.-E. Gobichon, J. P. Auffrédic and D. Louër

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Ab initio crystal structure determination from low-temperature X-ray powder data: the chiral compound L-carvone

C. Miravitlles, J. Rius, J. Sañé, M. A. Cuevast and T. Calvet

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Crystal structure of a new coordination polymer, {[Ni₂Cl₂(L)(CH₃OH)₂(H₂O)₂]Cl₂}_n, from X-ray powder data

A. Neels, B. Mathez Neels, H. Stoeckli-Evans, A. Clearfield and D. M. Poojary

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AlMethylPO₄·H₂O: the ab initio structure solution of a new layered compound

L.-J.M. Sawers, V. Carter, A. R. Armstrong, P. G. Bruce and P. A. Wright

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Bayesian ab initio phasing: the role of structure factor statistics with built-in stereochemistry

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Low-resolution ab initio phasing with Monte Carlo and clusterization techniques

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Ab initio phase determination for viruses: the use of non-crystallographic symmetry for phase refinement

M. Chapman, J. Tsao, M. Rossmann, S. Munshi and J. Johnson

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Genetic algorithms and macromolecular phasing

M. Fujinaga and M. N. G. James

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Phasing of peptide and protein data sets by ab initio modelling

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The ab initio structure and refinement of a scorpion protein toxin

G. D. Smith, R. H. Blessing, S. E. Ealick, J. C. Fontecilla-Camps, H. A. Hauptman, D. Housset, D. A. Langs and R. Miller

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The ab initio solution of the halorhodopsin and Omp F porin membrane proteins at 6 Å from electron diffraction projection data using the maximum entropy likelihood method in the MICE computer program

C. J. Gilmore, W. N. Nicholson and D. L. Dorset

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Application of the SAS tangent formula to multiple site problems: a feasibility study

C.-S. Chang, C. M. Weeks, D. Ghosh and H. A. Hauptman

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Low-resolution ab initio envelopes of yeast RNA polymerase II

P. R. David, D. A. Bushnell, K. K. Leuther, S. Subbiah, H. Bellamy and R. D. Kornberg

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Direct-method structure determination of the native azurin II protein using one-wavelength anomalous scattering data

Q. Hao, X.-F. Zheng, H.-F. Fan, F. E. Dodd and S. S. Hasnain

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Direct methods phase improvement for macromolecular structures using either SIR or SAS data

D. A. Langs, R. H. Blessing, G. D. Smith and D. Y. Guo

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Uniqueness and algorithms for macromolecular ab initio phasing

R. P. Millane and W. J. Stroud

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Ab initio phase determination of proteins with high-resolution data by direct methods

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Comparative quantitative analysis of β-Si₃N₄/β-SiC mixtures

J. P. Nicolich, Z. Lences, W. Dressler and R. Riedel

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GENPAT solution of the structure of protocatechuate-3,4-dioxygenase from Pseudomonas cepacia

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Very low resolution phasing attempts of the ribosomal 50S particle from T. thermophilus by the few atoms model method

A. D. Podjarny, A. G. Urzhumtsev and E. A. Vernoslova

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Molecular replacement methods using a parallel processing machine

V. S. Yadava and K. K. Kannan

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Autoindexing of multiphase polycrystals

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Phasing the cholera toxin electron-diffraction data using the maximum entropy likelihood method with non-crystallographic symmetry imposed in the MICE computer program

W. N. Nicholson and C. J. Gilmore

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EXAFS studies of nitrogenase and related systems: an overview

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EXAFS and X-ray studies of B₁₂ model compounds

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How coenzyme B₁₂ radicals are generated: methylmalonyl-CoA mutase at 2 Å resolution

P. R. Evans and F. Mancia

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EXAFS analyses of manganese enzymes

J. E. Penner-Hahn, T. L. Stemmler, P. J. Riggs-Gelasco and C. F. Yocum

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The structure of human ceruloplasmin at 3.0 Å resolution: the beginning of the end of an enigma

P. Lindley, I. Zaitseva, V. Zaitsev, A. Ralph and G. Card

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XAS studies of the Cu_A centers of cytochrome c oxidase: a unique binuclear copper cluster

N. J. Blackburn, S. de Vries, R. A. Scott, J. Fee, Y. Lu, C. Dennison and G. Canters

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Structure of subunit II of a quinol oxidase with reengineered Cu_A site

M. Wilmanns, K. Djinovic, P. Lappalainen, M. Kelly, E. Sauer-Deriksson and M. Saraste

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Crystal structure of cucumber stellacyanin at 1.7 Å resolution

P. J. Hart, A. N. Nersissian, J. S. Valentine and D. Eisenberg

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XAFS and crystallographic studies of an azurin and a blue copper nitrite reductase from a denitrifying bacterium

S. S. Hasnain, F. Dodd, R. Strange, G. Grossmann, L. Murphy, Z. Abraham, R. Eady and B. Smith

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Crystallization and preliminary X-ray studies of azurin-I and azurin-II from denitrifying bacterium Alcaligens xylosoxidans GIFU 1051

C. Li, T. Inoue, M. Gotowda, K. Hamada, N. Nishio, S. Suzuki, K. Yamaguchi and Y. Kai

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A novel iron center in desulfoferrodoxin from D. desulfuricans ATCC 27774: crystal structure at 1.8 Å resolution

P. M. Matias, A. Coelho, M. A. Carrondo, V. Fülöp, A. Gonzalez and A. Thompson

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Crystal structures of cytochrome c′ and its n-butyl-isocyanide-bound form from purple phototrophic bacterium

T. H. Tahirov, S. Misaki, Y. Higuchi, N. Yasuoka, T. E. Meyer and M. A. Cusanovich

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Crystal structures of Clostridium pasteurianum rubredoxin mutants V8A and V8N

T. J. Brett, J. J. Stezowski, K. M. Selbo, C. R. Ross II, Q. Zeng, D. M. Kurtz and R. A. Scott

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Molecular features of oxygen avidity discerned from structures of Ascaris hemoglobin domain I and several mutants

F. S. Mathews, L. M. Cunane, J. Yang, A. P. Kloek and D. E. Goldberg

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DIRDIF-96: Patterson methods, direct methods on difference structures, and completion of the structure by automatic recycling

P. T. Beurskens, R. Israel, G. Beurskens, R. de Gelder, W. P. Bosman and J. M. M. Smits

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Improvements on the use of image-seeking functions

J. Borge and S. García-Granda

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Experiences in the determination and refinement of structures involving twinning

F. W. B. Einstein and R. J. Batchelor

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Computer prediction of organic crystal structures using partial X-ray diffraction data

G. Filippini and A. Gavezzotti

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A simplified perturbation treatment for SAS phasing

D. Y. Guo, R. H. Blessing and D. A. Langs

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An orientation on solving supramolecular compounds by vector search

R. Israel, L. Infantes, G. Beurskens and P. T. Beurskens

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Quantum crystallography and fragment calculations

J. Karle, L. Huang and L. Massa

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Cu Kβ radiation application for determination of X-ray parameters of crystals

G. A. Kuznetsova

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Molecular replacement: a new density modification strategy using a subtractive algorithm

P. D. Martin, J. Vitali and B. F. P. Edwards

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Solving small protein structure using experimental triplet phases in direct methods

R. H. Mathiesen and P. Mo

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Development of new method for structure determination based on XANES analysis

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Experimental triplet phases for discriminating between similar structure models

F. Mo, R. H. Mathiesen and T. Nyborg

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Use of Harker sections in a density modification method for direct solutions of crystal structures

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A new solution to the phase problem

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Probability distribution of structure factors and the role of atomic heterogeneity

A. Mukhopadhyay, G. B. Mitra and G. Mostafa

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The science, technology and economics of electronic publishing in crystallography

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The role of the World-Wide Web in computational and pharmaceutical chemistry

G. D. Purvis III

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Internet resources for crystallography

Y. Epelboin and H. D. Flack

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Java and its applications to crystallography

J. C. Huffman and J. N. Huffman

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VRML as a tool for exploring complex structures

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Phase improvement and extension in protein crystallography

G. Zanotti, D. Siliqui and C. Giacovazzo

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Software for lattice identification in G-6

H. J. Bernstein and L. C. Andrews

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A local macromolecular structure database for crystallographic laboratories

P. E. Bourne and I. N. Shindyalov

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A universal data exchange format for crystallography

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SIRWARE

G. Cascarano, A. Altomare, C. Giacovazzo, A. Guagliardi, A. G. G. Moliterni, D. Siliqi, M. C. Burla, G. Polidori and M. Camalli

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Computational aspects of XD

T. Richer, T. Koritsanszky, S. Howard, P. R. Mallinson, Z. Su and N. K. Hansen

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Parameterising weak interactions

S. J. Maginn and G. R. Desiraju

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A technique to recover missing scatter intensity information and reduce noise, requiring no a priori knowledge

G. K. Doherty and G. A. Poland

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Xtal3.4: new release of the Xtal system

S. R. Hall, D. du Boulay, G. S. D. King, J. M. Stewart, J. R. Hester and D. Grossie

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Direct-Searcher system (Ver. 3) for some organic compounds on personal computers

K. Okada and S. Okada

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Resolution enhancement in powder diffraction using stable deconvolution

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Experiences porting crystallographic software to modern user interfaces: a Windows version of the NRCVAX package

P. S. White and E. J. Gabe

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Density modification: successes and limitations

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Electron density averaging using multiple crystal forms or diffraction datasets in structure determination of protein at moderate resolution

K. Das, J. Ding, Y. Hsiou, K. Lentz, W. Zhang and E. Arnold

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Partial structure refinement combined with electron-density modifications by using MAIN

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Joint maximum entropy and non-crystallographic symmetry constraints in model-independent map refinement

C. W. Carter Jr, V. Ilyin, X. Huang and G. Li

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Holographic methods in crystallography

A. Szoke, H. Szoke and J. R. Somoza

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How does solvent flattening remove the phase ambiguity?

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Semi-automated density fitting with XtalView

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Towards the full automation of map interpretation

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The PROTEIN program system: real space techniques using Fourier and Patterson maps

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Comparison of model with electron density: refinement, model-building, quality assessment in crystallography and EM

Q. Xie, E. Blanc, G. Zhou, J. Tong and M. S. Chapman

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An improved cross-validation method density modification. Application to phase refinement and extension

J.-S. Jiang and A. T. Brünger

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MAGICSQUASH: iterative multiple domain and multiple space group NCS averaging

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Overview of refinement and least-squares methods

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Refinement of proteins at atomic resolution

V. S. Lamzin, T. R. Schneider, Z. Dauter and K. S. Wilson

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Crystallographic structure refinement using molecular dynamics constrained to torsion angles

L. M. Rice and A. T. Brünger

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Au or FeS₂? Validation of protein models and refinement protocols

G. J. Kleywegt and T. A. Jones

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Improved structure refinement through maximum likelihood

R. J. Read and N. S. Pannu

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Description of program using maximum likelihood residual for macromolecular refinement, illustrated by several examples

E. J. Dodson, G. N. Murshudov and A. A. Vagin

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Protein precision re-examined: Luzzati plots do not estimate final errors

D. W. J. Cruickshank

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A new approach to macromolecular refinement via Bayes' law and Boltzmann's distribution

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Hydrophilicity of cavities in proteins

J. Hermans, L. Zhang, C. Van Deusen and X. Xia

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Multicopy modeling of the solvent distribution in macromolecular crystals

E. I. Howard, J. R. Grigera, A. D. Podjarny and A. Urzhumtsev

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A test of maximum-likelihood refinement of macromolecular structures with BUSTER and TNT

J. Irwin and G. Bricogne

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Macromolecular anisotropic temperature-factor refinement with strict constraints

J. A. Kelly and T. O. Yeates

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Predicting and analyzing determinants of water-mediated ligand recognition

L. A. Kuhn, M. L. Raymer, W. F. Punch, P. C. Sanschagrin and E. D. Goodman

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An intensity-based likelihood function for structure refinement

N. S. Pannu and R. J. Read

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Crystal structure at 1.0 Å resolution of human p56lck SH2 domain in complex with a short phosphotyrosyl peptide

L. Tong, T. C. Warren, J. King, R. Betageri, J. Rose and S. Jakes

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Local indicators of model quality

G. Zhou, E. Blanc and M. S. Chapman

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Comparison of sequences and structures

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Comparative protein modeling by satisfaction of spatial restraints

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Modeling the structure of NAD bound to pertussis toxin

M. D. Cummings, T. N. Hart, B. Hazes and R. J. Read

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Efficient docking of macromolecules by exhaustive enumeration of configurations

L. F. Ten Eyck, I. Tsigelny, V. Roberts and J. Mandell

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Automated protein–protein and substrate–protein docking

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Modeling of the spatial structure of eukaryotic ornithine decarboxylases

N. V. Grishin, M. A. Phillips and E. J. Goldsmith

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A fast and efficient program for loops

Y. Han, H. Zhang, L. Lai, L. Wang and Y. Tang

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The characteristics of common sequence peptides in proteins

L. Lai, D. Lin and Y. Tang

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The cupredoxin fold: definition and analysis of the common core structure

M. E. P. Murphy and E. T. Adman

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GAMMA: a new docking program utilizing an advanced evolution system algorithm as an engine

S. Ness, T. Hart and R. Read

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Modes of binding synthetic inhibitors to factor Xa: an automated docking approach

M. S. Rao and A. J. Olson

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Molecular modeling on calmodulin from Zea mais

B. Reich, C. Betzel and G. Wagner

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A new docking program (SANDOCK) identifies ligands with k_d values up to 100 nM and binding modes confirmed by X-ray structure analysis

M. D. Walkinshaw and P. Burkhard

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Structure prediction

C. M. Freeman, A. M. Gorman and S. M. Levine

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Conventional descriptions of new phases from results of high-pressure inorganic structure modelling

Y. Le Page, D. D. Klug and J. S. Tse

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Modeling materials with symmetry

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First principles simulation of oxide materials

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Computer modelling of defects in inorganic materials

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Modification of Finnis–Sinclair potential to account for surface effect

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AKIRA, an expert system to predict crystal structures

M. Hosoya, H. Chinen and M. Nakamoto

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ORTEPIII: the Oak Ridge thermal ellipsoid plot program

M. N. Burnett and C. K. Johnson

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TITAN: a molecular graphics program to aid structure solution and refinement with the SHELX suite of programs

J. Simpson and K. A. Hunter

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MOLDRAW: molecular graphics for MS-WINDOWS

D. Viterbo, P. Ugliengo and G. Chiari

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CCP14 in powder and single-crystal diffraction

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Program HARDPACK: prediction and optimization of crystal structures using atom–atom potentials and point charges

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SPGR4D: a computer program for deriving symmetry operations of the (3+1)-dimensional superspace groups from the two-line symbols

Z. Fu and H. Fan

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Structural basis for phosphopeptide recognition and catalysis by protein phosphatases

D. Barford, A. Das and M.-P. Egloff

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MAP kinases and their activating enzymes

E. J. Goldsmith

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Enzymatic C5-cytosine methylation of DNA

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Structure and mechanism of SLT70, a bacterial muramidase

B. W. Dijkstra, A.-M.W.H. Thunnissen and E. van Asselt

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An evolutionary fusion of two enzymes: structure of the unique bifunctional enzyme 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase

C. A. Hasemann, E. Istvan, K. Uyeda and J. Deisenhofer

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Structure of urate oxidase of Aspergillus flavas: an original fold and a new mechanism

N. Colloc'h, M. El Hajji, B. Castro, T. Prangé, M. Schiltz, B. Bachet and J. P. Mornon

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Argininosuccinate lyase and δ II crystallin: intragenic complementation and catalysis

P. L. Howell, M. A. Turner, M. A. Abed and R. R. McInnes

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X-ray studies on the structure, specificity and mechanism of the opine dehydrogenase enzyme superfamily

S. J. Langridge, K. L. Britton, Y. Asano and D. W. Rice

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Tyr-Lys based catalysis: the foundation for structural homology among short-chain dehydrogenase/reductases

D. Ghosh, W. L. Duax, V. Pletnev, B. M. Burkhart and N. Li

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Glucose 6-phosphate dehydrogenase: links between structure and deficiency

C. E. Naylor, A. K. Basak, S. Gover, P. J. Mason and M. J. Adams

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Crystal structure of glycosomal glyceraldehyde-3-phosphate dehydrogenase from Leishmania mexicana: mechanistic implications and potential drug binding sites

H. Kim, C. L. M. J. Verlinde, A. Aronov, M. H. Gelb, P. Herdewijn and W. G. J. Hol

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Molecular replacement at its limits? The structure determination of T. cruzi g-glyceraldehyde-3-phosphate dehydrogenase, 12 monomers in the asymmetric unit and 41% data completeness at 3.5 Å resolution

B. G. Guimarães, D. H. F. Souza, W. D. P. Jesus and G. Oliva

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The crystal structure of T. cruzi glycosomal glyceraldehyde-3-phosphate dehydrogenase: implications for the catalytic mechanism and new potential target sites for selective inhibition

G. Oliva, D. H. F. Souza, A. P. U. Araújo and W. D. P. Jesus

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Structure of rat liver isovaleryl-CoA dehydrogenase

K. Tiffany, R. Paschke, J. Vockley and J.-J. Kim

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Alcohol dehydrogenase: more structures – implications to specificity and function

S. Ramaswamy, M. El Ahmed, H. Jörnvall, B. V. Plapp and H. Eklund

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Purification and crystallization of recombinant lactate dehydrogenase of Plasmodium falciparum

D. Chattopadhyay, D. Moore, P. Campbell, D. Bzik, B. A. Fox, L. J. DeLucas and S. V. L. Narayana

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Crystallographic studies of homoserine dehydrogenase for the design of novel antifungal agents

B. DeLaBarre, G. D. Wright and A. M. Berghuis

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The crystal structure of class 3 aldehyde dehydrogenase: implications to the class 1 and 2 enzymes

Z.-J. Liu, J. Sun, J. Rose, D. Hsiao, W.-R. Chang, Y.-J. Chung, I. Kuo, J. Hempel, R. Lindahl and B.-C. Wang

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X-ray structure of inosine monophosphate dehydrogenase from the protozoan parasite Tritrichomonas foetus

F. G. Whitby, H. Luecke, J. Somoza, H. Tsaruta, J. Huete-Perez, C. P. Hill, R. J. Fletterick and C. C. Wang

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Structural studies of rat liver 3α-hydroxysteroid/dihydrodiol dehydrogenase

M. J. Bennett, B. P. Schlegel, J. M. Jez, T. M. Penning and M. Lewis

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Preliminary crystallographic analysis of the L-phenylalanine dehydrogenase NAD⁺ complex from Rhodococcus

J. L. Vanhooke, N. M. W. Brunhuber, J. S. Blanchard and H. M. Holden

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BAD to SAD: alcohol dehydrogenase as a 'crystallographic assay' for NAD analogs

B. M. Goldstein, T. D. Colby, K. Pankiewicz and K. Watanabe

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Two mutations in the active site of alcohol dehydrogenase perturb the catalytic geometry

T. D. Colby, B. J. Bahnson, J. K. Chin, J. P. Klinman and B. M. Goldstein

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Native and complex crystal structures of the flavin enzyme dihydroorotate dehydrogenase

P. Rowland, F. S. Nielsen, K. F. Jensen and S. Larsen

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Crystallographic enzymology of ω-amino acid pyruvate aminotransferase

S. Ikemizu, K. Sasaki, N. Watanabe, K. Yonaha, N. Sakabe and K. Sakabe

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Catalytic conformation of Pseudomonas 7A glutaminase-asparaginase (PGA): crystal structure of the PGA–SO₄²⁻–NH₄⁺ complex at 1.7 Å resolution

C. Jakob, M. LaCount, K. Lewinski, J. Roberts and L. Lebioda

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Analyses of different binding modes of ligands in three types of crystals of L-asparaginase from E. coli A1-3KY3598

N. Nandhagopal, M. Hirokawa, N. Tanaka, T. Senda and Y. Mitsui

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Ketoacid reductoisomerase: first structure of a potential herbicide target

V. Biou, E. Pebay-Peyroula, C. Cohen-Addad, R. Dumas, D. Job and R. Douce

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Crystallization of calpain, a Ca²⁺-dependent cysteine protease

Z. Jia, Q. Ye, P. L. Davies and J. S. Elce

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Crystal structure of subtilisin BPN′ folded without the prodomain

O. Almog, D. T. Gallagher, M. Tordova, J. Hoskins, P. Bryan and G. L. Gilliland

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Crystal structure of the aspartic proteinase from Rhizomucor miehei at 2.15 Å

J. Yang, A. Teplyakov and J. W. Quail

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Crystal structures of the Glu¹⁸, Gln¹⁸, Asp¹⁸ and Asn¹⁸ variants of turkey ovomucoid inhibitor third domain complexed with Streptomyces griseus proteinase B at various pHs

K. Huang, M. Qasim, W. Lu, M. Laskowski Jr and M. N. G. James

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The structure of human cathepsin-L at 2 Å resolution

R. Pauptit, A. Tucker, S. Weston and B. Gordon

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Crystal structure of human factor XIII bound to ytterbium: probing calcium binding

B. A. Fox, P. D. Bishop, R. E. Stenkamp, D. C. Teller and V. C. Yee

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Three-dimensional structure of a plant cardoon aspartic proteinase

C. Frazco, I. Bento, R. Coelho, J. Costa, C. Faro, P. Vermssimo, E. Pires, J. Cooper, Z. Dauter, K. Wilson and M. A. Carrondo

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The 2.5 Å crystal structure of penicillin G acylase from a mutant form of P. rettgeri

M. A. McDonough, H. E. Klei, G. K. Schulte and J. A. Kelly

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The crystal structure of a bifunctional Kunitz type cysteine proteinase inhibitor at 1.9 Å resolution

M. Ghosh, M. Mares, K. Harlos and C. Blake

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Structure of equine infectious anemia virus proteinase complexed with an inhibitor

J. Kervinen, A. Gustchina, D. Powell, A. Zdanov, J. Kay and A. Wlodawer

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Crystal structure of human pepsinogen A

K. S. Bateman, M. N. Chernaia, N. I. Tarasova and M. N. G. James

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Crystal structure of human salivary cystatin

N. Ramasubbu and M. J. Levine

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Crystal complexes of wild type and mutant CI-2 inhibitor with subtilisin Carlsberg: the structural basis for binding kinetics and a high-resolution study

W. R. Rypniewski, C. von der Osten, T. Halkier and K. S. Wilson

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Structure of a soluble form of the Kex1p serine carboxypeptidase from Saccharomyces cerevisiae

B. H. Shilton, Y. Li, D. Tessier, D. Y. Thomas and M. Cygler

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The molecular structure of human cytomegalovirus assemblin – a novel serine protease and an unique drug target

H.-S. Shieh, W. C. Stallings, R. G. Kurumbail, A. M. Stevens, J. Y. Pak, E. J. Sturman, R. A. Stegeman, M. O. Palmier, A. J. Wittwer and B. C. Holwerda

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Crystal structure of the complex of porcine pancreatic trypsin with Kunitz-type soybean trypsin inhibitor

H. K. Song and S. W. Suh

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Crystal structure of a non-pepsin-type acid proteinase, Aspergillus niger proteinease A

H. Sasaki, A. Nakagawa, T. Muramatsu, K. Takahashi and M. Tanokura

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Structural investigation of regulation in Bacillus stearothermophilus pyruvate kinase

S. C. Lovell, D. Ungar, A. H. Mullick and H. Muirhead

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X-ray structure of Mn-phosphate complex of yeast inorganic pyrophosphatase at 2.4 Å resolution

B. Vainshtein, E. Harutyunyan, I. Kuranova, V. Lamzyn, Z. Dauter and K. Wilson

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The X-ray structure of uridine phosphorylase from E. coli at 2.5 Å resolution

A. M. Mikhailov, E. Yu. Morgunoya, S. E. Ealick, Ch. Mao, Sh. R. Armstrong, A. S. Mironov and A. A. Komissarov

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A glimpse at an enzyme reaction intermediate: the ATP–Mg²⁺–oxalate ternary complex of Escherichia coli phosphoenolpyruvate carboxykinase

L. W. Tari, A. Matte, U. Pugazhenthi, H. Goldie and L. T. J. Delbaere

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Crystal structure of enzyme IIA of the mycoplasma phosphotransferase system

K. Huang, G. Kapadia, P.-P. Zhu, A. Peterkofsky and O. Herzberg

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1.5 Å structure of the Asp46 HPr mutant from Escherichia coli

S. Napper, B. Waygood, J. W. Quail and L. T. J. Delbaere

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Purification and crystallographic studies of a D-alanyl-D-alanine carboxypeptidase from B. stearothermophilus

A. P. Kuzin, J. L. Frost, S. L. Condron and J. A. Kelly

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Crystallographic studies on shikimate kinase from Erwinia chrysanthemi

A. J. Lapthorn, T. Krell, J. E. Coyle and J. R. Coggins

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Crystal structure of phospholipase A₂ from Agkistrodon halys Blomhoffii venom

K. Tomoo, M. Doi, T. Ishida, K. Ikeda and Y. Samejima

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The trigonal and the orthorhombic forms of the triple mutant Y52,73F/D99N of PLA2

K. Sekar, X. Chen, M.-D. Tsai and M. Sundaralingam

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Crystal structure of FIV dUTP pyrophosphatase

G. Sridhar Prasad, E. A. Stura, D. E. McRee, C. Hasselkus-Light, G. S. Laco, J. H. Elder and C. D. Stout

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Crystal structure of RNase-form I (complexed with nickel)

R. Balakrishnan, N. Ramasubbu, K. I. Varughese and R. Parthasarathy

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Crystallographic studies of alpha-toxin (phospholipase C) from Clostridium perfringens

A. K. Basak, J. T. Eaton, D. S. Moss and R. W. Titball

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Left-handed β-helix protein UDP-glucose pyrophosphorylase

M. Kusunoki, Y. Kitagawa, H. Naitou, Y. Katsube, Y. Sakamoto, K. Tanizawa and T. Fukui

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Calf spleen purine nucleoside phosphorylase in complex with an N(7)-acycloguanosine inhibitor

G. Koellner, M. Luic, A. Bzowska, D. Shugar and W. Saenger

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Crystal structure of isozyme 4-4 and molecular modeling of isozyme 3-4 of class mu glutathione S-transferases from rat liver

G. Xiao, X. Ji, R. Armstrong and G. L. Gilliland

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High-resolution crystal structure of ornithine aminotransferase complexed with the neurotoxin gabaculine

S. A. Shah, B. W. Shen and A. T. Brunger

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The crystal structure of the HGXPRTase from the protozoan parasite T. foetus

J. R. Somoza, M. Chin, P. J. Focia, C. C. Wang and R. J. Fletterick

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The structure of the detoxification enzyme: glutathione S-transferase D21 from Drosophila melanogaster

P.-L. Ong, J. P. Rose, C.-P.D. Tu and B. C. Wang

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The human pi-class glutathione S-transferase: a target for structure-based drug design

A. J. Oakley, J. Rossjohn, M. L. Bello and M. W. Parker

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Preliminary X-ray structure analysis of Rab geranylgeranyl transferase

H. Zhang, M. C. Seabra and J. Deisenhofer

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High-resolution structure of human ornithine aminotransferase (OAT) complexed with alpha-ketoglutarate: implications of the reaction mechanism

B. W. Shen, S. A. Shah and A. T. Brunger

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Three-dimensional structure of human ornithine aminotransferase: charge distribution at the active site explains the selectivity for W-group of dibasic amino acids

B. W. Shen, M. Hennig, E. Hohenester and J. N. Jansonius

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Crystallographic study of branched-chain amino acid aminotransferase from Escherichia coli

K. Okada, K. Hirotsu, H. Hayashi and H. Kagamiyama

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Structure and function of glycine methyltransferase from rat liver

Z. Fu, Y. Hu, F. Takusagawa, K. Konishi, Y. Takata and M. Fujioka

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Enzyme activity at 100°C: citrate synthase from Pyrococcus furiosus

R. J. M. Russell, D. W. Hough, M. J. Danson and G. L. Taylor

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Crystal structure of asparagine synthetase from Escherichia coli

T. Nakatsu, H. Kato and J. Oda

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Inhibitors of glutamine synthetase from Salmonella typhimurium and Mycobacterium tuberculosis

H. Gill, G. Harth, M. Horwitz and D. Eisenberg

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Preliminary crystallization and diffraction analysis of recombinant pentalenene synthase

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Structures of electron-transfer flavoprotein from human and Paracoccus denitrificans

D. L. Roberts, F. E. Frerman and J.-J.P. Kim

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Structure of the native cysteine-sulfenic acid redox center of streptococcal NADH peroxidase

J. I. Yeh, A. Claiborne and W. G. J. Hol

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Crystal structure of rat liver NADPH-cyctochrome P-450 reductase

M. Wang, D. L. Roberts, R. Paschke, T. Shea, B. S. S. Masters and J.-J.P. Kim

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Crystal structure of copper amine oxidase of yeast

R. Li, L. Chen, G. Boyd, D. Cai, J. Klinman and F. S. Mathews

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The crystal structure of a type II dehydroquinase from Mycobacterium tuberculosis

D. G. Gourley, J. R. Coggins, A. R. Hawkins and N. W. Isaacs

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Structural investigations on cofactor-free haloperoxidases

H. J. Hecht, B. Hofmann, J. Altenbucher and K. H. van Pée

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Horseradish peroxidase C*: crystal structure with and without the substrate: benzene hydroxamine acid (BHA) bound in the active site

M. Gajhede, A. Henriksen, D. J. Schuller and A. T. Smith

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Adaptation to extreme salt environment: the structure of dihydrofolate reductase from Haloferax volcanii

U. Pieper, G. Kapadia, M. Mevarech and O. Herzberg

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X-ray structure analysis of aldehyde reductase from a red yeast

A. Kita, M. Kataoka, K. Yamamoto, S. Shimizu, K. Kita, T. Hashimoto, H. Yamane and K. Miki

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Crystallization and crystallography of the major flavin reductase of Vibrio fischeri

H. Koike, H. Sasaki, S. Zenmo, K. Saigo, M. E. P. Murphy, E. T. Adman and M. Tanokura

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Crystallographic study of D-amino acid oxidase

H. Mizutani, I. Miyahara, K. Hirotsu, C. Setoyama, Y. Nishina, K. Shiga and R. Miura

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Crystallographic studies of lactate monooxygenase (LMO) and old yellow enzyme 2 (OYE2)

Z. Deng, P. A. Karplus and V. Massey

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Structure of the flavoenzyme D-amino acid oxidase

M. Bolognesi, A. Mattevi, M. A. Vanoni, F. Todone and B. Curti

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The catalytic mechanism of superoxide dismutase based on crystallographic studies of the reduced enzyme and inhibitor complexes

K. S. Wilson, M. Ferraroni, P. L. Orioli, W. R. Rypniewski and S. Mangani

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The three-dimensional structure of mouse NAD(P)H: quinone reductase expressed in E. coli

M. A. Bianchet, M. Faig, S. Chen, P. Talalay and L. M. Amzel

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Structure determination of cholesterol oxidase containing covalently bound FAD

K. Q. Yue, N. Croteau and A. Vrielink

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The structure of N-acetylneuraminate lyase in complex with inhibitors: a new sub-family of aldolases

M. C. Lawrence, J. A. R. G. Barbosa, B. J. Smith, N. E. Hall, P. A. Pilling, H. C. Ooi and S. M. Marcuccio

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Crystal structure of pectin lyase B determined by molecular replacement

J. Vitali, B. M. Schick, H. Kester, J. Visser and F. A. Jurnak

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Elucidating the mechanism of tyrosine phenol-lyase

A. Antson, G. Dodson, K. Wilson and T. Demidkina

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Preliminary X-ray structure analysis of ACC deaminase

A. Horiuchi, M. Yao, A. Nakagawa, I. Tanaka and M. Honma

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2.2 Å structure of D84E mutant of porphobilinogen deaminase

N. C. Picken, R. Lambert, S. Awan, P. M. Jordan and S. P. Wood

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Structural study of sesquiterpene cyclases

C. Starks, K. Back, J. Chappell and J. Noel

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Towards the structure of hemagglutinin-neuraminidase from Newcastle disease virus

S. J. Crennell, A. Portner, T. Takimoto, W. G. Laver and G. L. Taylor

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Crystal structures of cyclophilin A complexed with proline-containing dipeptides and tetrapeptide

Y. Zhao and H. Ke

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X-ray structure of gelonin and gelonin–AMP complex

M. V. Hosur, B. Nair, P. Satyamurthy, S. Misquith, A. Surolia and K. K. Kannan

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Structure and interactions of a complex of snake venom toxin and acetylcholinesterase

M. Harel, G. J. Kleywegt, R. B. G. Ravelli, I. Silman and J. L. Sussman

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Insights into the mechanism of Rubisco

T. C. Taylor and I. Andersson

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Flexible assembly of pyruvate decarboxylase tetramers examined by comparison of multiple crystal forms

P. Arjunan, L. Chen, S. Swaminathan, W. Furey, M. Sax, Y. Gao, D. Zhang and F. Jordan

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Crystallographic studies on serralysins

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Structure of an antibiotic deactivating enzyme

L. C. Pederson and H. M. Holden

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Crystal structure of L-2-haloacid dehalogenase from Pseudomonas sp. YL at 2.5 Å resolution

Y. Hata, T. Hisano, T. Fujii, J.-Q. Liu, T. Kurihara, N. Esaki and K. Soda

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Crystallization and preliminary X-ray structure analysis of D-dopachrome tautomerase

H. Sugimoto, A. Nakagawa, I. Tanaka and J. Nishihara

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Crystal structure of the catalytic domain of Pseudomonas aeruginosa exotoxin A complexed with an NAD analogue: implications for the activation process and for ADP-ribosylation

M. Li, F. Dyda, I. Benhar, I. Pastan and D. R. Davies

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Structure and function of ribonucleotide reductase R1 protein

M. Eriksson, S. Ramaswamy, U. Uhlin and H. Eklund

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A detailed study of the active site of Rubisco by X-ray crystallography

A. P. Duff, T. J. Andrews and P. M. G. Curmi

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The very high resolution crystal structure of glucose oxidase from P. amagasakiense. 1200 residues at 1.79 Å resolution

J. Hendle, H.-J. Hecht, H. M. Kalisz and D. Schomburg

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Structure and crystal packing studies of 4-oxalocrotonate tautomerase

A. B. Taylor, C. P. Whitman and M. L. Hackert

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Preliminary crystallographic study of formaldehyde dismutase

A. Yamano, T. Higashi, H. Yanase, N. Kato, H. Moriyama, N. Tanaka and Y. Katsube

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Crystal structure of xylose isomerase from thermophilic bacteria Thermus caldophilus

C. Chang, B. C. Park, D.-S. Lee and S. W. Suh

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Crystallographic studies on the bifunctional pterin-4a-carbinolamine dehydratases from human liver and Pseudomonas aeruginosa

D. Suck, R. Ficner, U. H. Sauer and G. Stier

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Crystal structure of ADP-ribosyl cyclase

C. D. Stout, G. Sridhar Prasad, E. A. Stura, D. E. McRee, D. G. Levitt and H. C. Lee

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Structural studies of a bacterial helicase

H. Hoier, D. Röleke, C. Bartsch and W. Saenger

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Three-dimensional structure of O-acetylserine sulfhydrylase from Salmonella typhimurium

P. Burkhard, E. Hohenester, G. S. J. Rao, P. F. Cook and J. N. Jansonius

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Crystal structure of an active form of porcine trypsin

A. Johnson, V. Pattabhi and P. V. Sundaram

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Crystal structure of calcium-free C-terminal domain of small subunit of rat calpain

P. Grochulski, H. Blanchard, Y. Li, J. S. C. Arthur, J. S. Elce, P. L. Davies and M. Cygler

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A unique active site in a robust enzyme

E. Jabri and P. A. Karplus

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Crystallographic studies of the multi-electron reductions catalyzed by the siroheme and iron-sulfur cluster-containing enzyme sulfite reductase

B. R. Crane, L. M. Siegel and E. D. Getzoff

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Crystal structure of a PCB-degrading dioxygenase, the BphC enzyme from a Pseudomonas sp.

Y. Mitsui, T. Senda and M. Fukuda

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Oxidized and reduced nitrite reductase with and without nitrite bound

E. T. Adman, M. E. P. Murphy, S. Turley, M. Kukimoto and M. Nishiyama

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Structure of human glyoxalase I, a zinc enzyme, solved by MIR methods

A. D. Cameron, B. Olin, M. Ridderström, B. Mannervik and T. A. Jones

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Crystal structure of the selenocysteine, molybdopterin and 4Fe4S cluster-containing enzyme formate dehydrogenase-H

J. C. Boyington, V. Gladyshev, T. C. Stadtman and P. D. Sun

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Crystal structure of dimethylsulfoxide reductase defines a new familty of oxotransferases containing the molybdenum cofactor

H. Schindelin, C. Kisker and D. C. Rees

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Structure of the aldehyde oxidoreductase from Desulfofibrio gigas: a member of the xanthine oxidase protein family

M. Archer, M. J. Romco, R. Duarte, I. Moura, J. J. G. Moura, J. LeGall, P. Hof and R. Huber

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Crystallisation and X-ray diffraction analysis of the metalloenzyme arginase from Bacillus caldovelox

M. C. Bewley, J. S. Lott, M. L. Patchett and E. N. Baker

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High-resolution crystal structures of 2,3-dihydroxybiphenyl 1,2-dioxygenase from a PCB-degrading bacterium complexed with substrates

J. T. Bolin, S. Han and L. D. Eltis

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Structural elements of proton transfer in murine carbonic anhydrase V

P. A. Boriack-Sjodin

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The role of zinc in dehydroquinate synthase: comparison of mechanistic and structural data

K. A. Brown, E. P. Carpenter, G. G. Dodson, A. R. Hawkins, J. D. Moore and J. W. Frost

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Complexes of the catalytic domain of avian sarcoma virus integrase with divalent cations

G. Bujacz, M. Jaskólski, J. Alexandratos, A. Wlodawer, G. Merkel, R. A. Katz and A. M. Skalka

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Probing the role of the buried charge, ASP235, in cytochrome c peroxidase by engineering in counter-charges or H-bonds

Y. Cao, D. B. Goodin and D. E. McRee

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X-ray structure determination of human ceruloplasmin at 3.0 Å resolution

G. L. Card, I. Zaitseva, V. N. Zaitsev, B. Bax, A. Ralph and P. F. Lindley

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The crystallographic structure of dehydroquinate synthase from Aspergillus nidulans

E. P. Carpenter, A. R. Hawkins, J. D. Moore, J. W. Frost, G. G. Dodson and K. A. Brown

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Active-site binding of metal ions in D-xylose isomerase

H. L. Carrell, C. E. Afshar, L. Shimoni-Livny and J. P. Glusker

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Crystal structures of stromelysin: conformational changes induced by inhibitor binding

L. Chen, T. J. Rydel, C. M. Dunaway and L. Strickland

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Crystal structure of the wide-spectrum binuclear zinc β-lactamase from Bacteroides fragilis

N. O. Concha, B. A. Rasmussen, K. Bush and O. Herzberg

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Analysis of the vanadium-dependent haloperoxidase from Corallina officinalis

A. Dalby, C. Rush, A. Willetts, G. Davies, Z. Dauter and J. Littlechild

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Crystallization and preliminary X-ray analysis of a nitrate reductase from Desulfovibrio desulfuricans ATCC 27774

J. M. Dias, C. Carneiro, M. J. Almendra, I. Moura, J. Moura, J. LeGall and M. J. Romco

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Crystal structure of a metallo β-lactamase II from B. cereus at 2.5 Å

S. M. Fabiane, M. Sohi, T. Wan, D. J. Payne, J. H. Bateson, T. Mitchell and B. J. Sutton

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Metal coordination of several divalent cations: Mg²⁺, Ca²⁺, Be²⁺, and Zn²⁺

J. P. Glusker, A. Kaufman Katz and C. W. Bock

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Structural studies of tyrosine hydroxylase in the apo-enzyme and inhibitor-bound states

K. E. Goodwill, C. B. Marks, C. Sabatier and R. C. Stevens

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Structural characterization of reactive oxygen defence enzymes: the endonuclease IV and Y34F mutant Mn superoxide dismutase

Y. Guan, K. Forest, G. Borgstahl, M. Hickey, R. Cunningham and J. A. Tainer

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Identification of Ca²⁺ ions bound to proteins using an X-ray anomalous dispersion technique

K. Hamada, Y. Hata, H. Miyatake, T. Fujii, F. Amada and K. Fukuyama

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Structure determination of NiFe hydrogenase

Y. Higuchi and N. Yasuoka

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Site-directed mutagenesis of human carbonic anhydrase I: structure and function

K. K. Kannan, A. K. Mohanty, M. V. Hosur, M. B. Satayamurty, A. V. S. S. Narayan Rao and S. K. Mahajan

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Mechanism of Fe^III–Zn^II purple acid phosphatase based on crystal structures

T. Klabunde, N. Sträter, H. Witzel and B. Krebs

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Crystal structure of a eukaryotic (pea seedling) copper-containing amine oxidase at 2.3 Å resolution

V. Kumar, H. C. Freeman, J. M. Guss, D. M. Dooley and M. A. McGuirl

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Crystal structure of a zinc metalloendoprotease from Streptomyces caespitosus at 1.6 Å resolution

G. Kurisu, A. Sugimoto, Y. Kai and S. Harada

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Bacillus cereus neutral protease G197D and E144S mutant structures

S. A. Litster, P. W. Codding, D. R. Wetmore and R. S. Roche

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Crystallization of superoxide dismutase from a halophilic organism

T. P. Lo, I. L. Canestrelli, J. A. Tainer and E. D. Getzoff

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Preliminary crystallographic data of subunit III and subunit IV of hemocyanin from Limulus polyphemus

K. A. Magnus and S. Liu

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DMSO reductase from Rhodobacter capsulatus

A. S. McAlpine and S. Bailey

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Structural roles of critical residues in cooperativity of Scapharca dimeric hemoglobin

A. Pardanani, M. Bonham and W. E. Royer Jr

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Crystallization of nitric oxide reductase cytochrome P450_NOR from Fusarium oxysporum

S.-Y. Park, H. Shimizu, S. Adachi, P. S. Udai, T. Iizuka, Y. Shiro, H. Shoun, A. Nakagawa and I. Tanaka

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Proposed mechanistic details of the nickel metalloenzyme urease

M. A. Pearson, L. O. Michel, R. P. Hausinger and P. A. Karplus

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Tuning the redox potential of an electron-transfer protein: analysis of the high potential P801 pseudoazurin

C. A. Peters-Libeu, E. T. Adman, S. Turley, T. Beppu and M. Nishiyama

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Crystallographic structures of diferric and Apo duck ovotransferrins

A. Rawas, H. Muirhead and J. Williams

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Crystal structure of carboxypeptidase G₂ and comparison with other zinc-containing exopeptidases

S. Rowsell, R. A. Pauptit, A. D. Tucker, P. Brick, L. F. Lloyd, R. G. Melton and D. M. Blow

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Insertion of a bulky residue adjacent to the proton shuttle group in CAII significantly decreases the efficiency of proton transfer

L. Scolnick, J. E. Jackman, K. M. Merz Jr, D. W. Christianson and C. A. Fierke

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Analysis of the substrate specificity and the enzymatic activity of an extradiol-type dioxygenase

T. Senda, H. Narita, K. Taguchi, K. Sugimoto, E. Masai, M. Fukuda and Y. Mitsui

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Toward the allosteric mechanism of fructose-1,6-bisphosphatase: X-ray structures and kinetics of mutant enzymes

B. Stec, G. Lu, R. Abraham, E. Giroux, M. K. Williams and E. R. Kantrowitz

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Crystal structure of the Gower II human embryonic hemoglobin (α₂∊₂)

A. J. Sutherland-Smith, H. M. Baker, E. N. Baker, R. M. Mould, O. M. Hofmann and T. Brittain

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Crystal structure of a bacterial copper-containing amine oxidase from Arthrobacter globoformis at 2.8 Å resolution

M. C. J. Wilce, H. C. Freeman, J. M. Guss, V. Kumar and W. S. McIntire

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Crystal structure of an inhibitor complex with the quinoenzyme amine oxidase identifies the active site base

C. M. Wilmot, M. R. Parsons, M. A. Convery, V. Blakeley, A. S. Corner, K. D. S. Yadav, M. J. McPherson, P. F. Knowles and S. E. V. Phillips

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Design and application of matrices for the crystallization of membrane proteins

J. E. Gouaux, L. Song, M. Wessling and J. Johnson

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Crystallization of membrane proteins with the help of antibody fragments

C. Ostermeier, S. Iwata and H. Michel

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Two-dimensional crystallisation membrane proteins

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Detergent localization in membrane protein crystals using neutron diffraction

P. A. Timmins, E. Pebay-Peyroula and S. Penel

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The role of protein purification in the structure determination of an integral membrane protein

G. McDermott, S. M. Prince, M. Z. Papiz, A. M. Hawthornthwaite-Lawless, A. A. Freer, N. W. Isaacs and R. J. Cogdell

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Crystal structure of the light-harvesting complex II (B800/850) from Rhodospirillum molischianum

J. Koepke, X. Hu, K. Schulten and H. Michel

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Peptitergents: novel peptides capable of solubilizing membrane proteins for crystallization

R. M. Stroud and C. Schafmeister

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Overexpression, refolding, and crystallization of an 80 kDa outer membrane protein

S. Buchanan, B. Smith, L. Venkatramani, D. van der Helm and J. Deisenhofer

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Structure–function relationships in the membrane channel porin

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Structural basis of sugar translocation through maltoporin channels

T. Schirmer, R. Dutzler, Y.-F. Wang and J. P. Rosenbusch

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The structure of prostaglandin synthase: a membrane-bound enzyme

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The structure of an integral membrane protein light-harvesting complex

N. W. Isaacs, R. J. Cogdell, A. A. Freer, A. M. Hawthornthwaite-Lawless, M. Z. Papiz, S. M. Prince and G. McDermott

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8.5 Å projection map of the light-harvesting complex I from Rhodospirillum rubrum reveals a ring composed of 16 subunits

S. Karrasch, P. A. Bullough and R. Ghosh

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Crystal structure of beef heart mitochondrial cytochrome bc₁ complex

D. Xia, H. Kim, J. Deisenhofer, C.-A. Yu, J.-Z. Xia and L. Yu

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Crystallization of the reaction center of photosystem II

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Towards the crystallization of diphtheria toxin translocation mutants P345C, P345E, and P345G

M. Balbirnie, R. Landgraf and D. Eisenberg

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The structure of the α-hemolysin transmembrane pore in native and divalent cation inhibited forms

M. R. Hobaugh, L. Song, C. Shustak, S. Cheley, H. Bayley and J. E. Gouaux

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Crystallization of the α-hemolysin monomer

G.-Q. Huang, A. Villa, S. Cheley, C. Shustak, H. Bayley and J. E. Gouaux

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X-ray crystallographic studies on specific inhibitors of mitochondrial bc₁ complex

H. Kim, D. Xia, J. Deisenhofer, C.-A. Yu, A. Kachurin and L. Yu

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X-ray crystal structure of mouse prostaglandin H₂ synthase-2

R. G. Kurumbail, W. C. Stallings, A. M. Stevens, J. Pak, D. A. Gildehaus, R. A. Stegeman, J. Gierse, K. Seibert and P. C. Isakson

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Preparation of a protease resistant domain of the α-hemolysin monomer for crystallization

Y.-D. Mo and J. E. Gouaux

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Progress towards the structure of a membrane pore-forming toxin

R. J. Morse, V. Ramalingam and R. M. Stroud

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Crystallization and preliminary X-ray studies of type A influenza virus matrix protein M1

B. Sha and M. Luo

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From homoheptamers to heteroheptamers: an approach to the structure determination of heteromeric transmembrane channels

L. Song, M. R. Hobaugh, O. Braha, B. J. Walker, H. Bayley and J. E. Gouaux

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Cloning and purification studies of a class of membrane proteins that are responsible for pilin assembly and toxin secretion

M. Zhang, J. Pepe, S. Lory and W. W. J. Hol

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DNA structure and gene regulation: the importance of being flexible

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Formation of triple helices in the crystal structure of d(GGCCAATTGG)

A. Dautant, B. Gallois, G. Précigoux, D. Vlieghe, L. Van Meervelt and O. Kennard

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High-resolution crystal structure of a guanine tetraplex

B. Luisi, K. Phillips, Z. Dauter, A. Murchie and D. Lilley

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The thermodynamics of crystal packing: solvent versus steric effects

P. S. Ho and T. F. Kagawa

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Structure of a DNA-porphyrin complex

L. D. Williams, L. A. Lipscomb, F. X. Zhou, S. R. Presnell, R. J. Woo and M. E. Peek

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Crystal structure of an end-to-end binding of two netropsin molecules to the DNA decamer d(C₅I₅)

X. Chen, S. T. Rao, K. Sekar and M. Sundaralingam

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Some functional insights from RNA crystal structures

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The three-dimensional structure of an all-RNA hammerhead ribozyme

W. G. Scott, J. T. Finch and A. Klug

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Conformational characteristics of dinucleotide steps via single-crystal structures of DNA oligomers

M. A. El Hassan and C. R. Calladine

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X-ray crystal analysis of the human papilloma virus type-II E2-BS

J. Finley and M. Luo

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Daunomycin induces deglycosylation of DNA: structure of d(CG[glucose-T]ACG)–daunomycin complex

Y. G. Gao, H. Robinson, J. H. van Boom and A.H.-J. Wang

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Surveying and classifying nucleic acid structures

A. Gelbin, L. Clowney, S.-H. Hsieh, C. Zardecki, J. Westbrook and H. M. Berman

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Polypurine tract DNA sequence, CAAAGAAAAG containing 2 molecules in asymmetric unit. Is the 2nd helix disordered?

G. W. Han, M. L. Kopka, D. S. Goodsell and R. E. Dickerson

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Potentially right-handed sequence crystallizes as left-handed DNA: the crystal structure of d(CCCGGG)

P. Karthe, S. Krishnaswamy and N. Gautham

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A novel [G-(G.C)] base-triplet: model for base-pair recognition during homologous recombination

B. H. M. Mooers and P. S. Ho

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Phasing in drug-DNA sequence recognition: structure of a tris(benzimidazole)–DNA complex

S. Neidle, G. R. Clark, E. J. Gray, Y.-H. Li and W. Leupin

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Crystal structure of a 1:1 complex between netropsin and d(CGCAATTGCG)₂

C. M. Nunn, N. Spink, E. Garman and S. Neidle

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Crystallization and preliminary X-ray structure analysis of the structural domain E of Thermus flavus 5S rRNA

M. Perbandt, A. Nolte, S. Lorenz, J. P. Fuerste, C. Betzel and V. A. Erdmann

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Crystal structures of DNA targets of the E2 protein from bovine papillomavirus-1

H. Rozenberg, D. Rabinovich, R. H. Hegde and Z. Shakked

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The structure of an RNA dodecamer with noncanonical base pairs changes little upon cryocooling

K. F. Schaefer, C. L. Barnes, S. E. Lietzke and C. E. Kundrot

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Conformational changes on groove binding to DNA: molecular structure of SN7167 complexed with d(CGCGAATTCGCG)₂

C. J. Squire, G. R. Clark and W. A. Denny

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Structure and function of antitumor drug actinomycin D

F. Takusagawa, S. Kamitori, M. Shinomiya, W. Chu and R. F. Weaver

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Crystal structures of two furan derivatives of berenil and d(CGCGAATTCGCG)₂

J. O. Trent, S. Neidle, G. R. Clark and D. W. Boykin

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Crystal structure of the B-DNA decamer d(CGCAATTGCG)₂: sequence-dependent crossed helix packing

A. A. Wood, C. M. Nunn and S. Neidle

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Beyond A, B and Z-DNA

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DNA structure and protein–DNA interactions

C. R. Calladine

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lac repressor: structure and genetics

M. Lewis, M. A. Kercher, G. Chang, N. C. Horton, J. H. Miller, H. C. Pace and P. Lu

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Mechanism of pyrimidine dimer excision repair: structural basis of damaged DNA recognition

K. Morikawa, D. G. Vassylyev, T. Kashiwagi, Y. Mikami, M. Ariyoshi, S. Iwai and E. Ohtsuka

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Structures of nascent duplex DNA bound to a thermostable DNA polymerase at 1.9 Å resolution

L. S. Beese, C. Mao, J. R. Kiefer, S. B. Long and J. Braman

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Structural studies of type I DNA topoisomerases

A. Mondragón, C. Lima, N. Lue, A. Patera and A. Sharma

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The structure of the yeast telomeric protein RAP1 in complex with DNA: how telomeric DNA sequences are recognised

D. Rhodes, P. Konig, R. Giraldo and L. Chapman

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Structure and function of the DNA repair enzyme 3-methyladenine DNA glycosylase II

Y. Yamagata, M. Kato, Y. Tokuno, Y. Nakashima, K. Yasumura, K. Odawara, N. Matsushima, K. Tomita, Y. Fujii, K. Ihara, Y. Nakabeppu, M. Sekiguchi and S. Fujii

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Structural analysis of the TBP/TFIIA/TATA complex

J. H. Geiger, S. Hahn and P. B. Sigler

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Structure–function relationships in DNA ligase from the bacteriophage T7

S. R. Ashford, A. J. Doherty, H. S. Subramanya and D. B. Wigley

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DNA polymerase fidelity: a structural analysis

M. M. Blair, N. Mashhoon, C. R. A. Muchmore, M. F. Goodman and W. F. Anderson

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DNA-specific binding by HIN and FIS

T. Chiu, R. Johnson and R. E. Dickerson

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Refined structure of HIV-1 reverse transcriptase complexed with a double-stranded DNA and an antibody Fab fragment at 2.8 Å resolution

J. Ding, K. Das, Y. Hsiou, A. Jacobo-Molina, S. H. Hughes and E. Arnold

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The crystal structure of the catalytic core domain of HIV-1 integrase in a new crystal form

F. Dyda, A. B. Hickman, T. M. Jenkins, A. Engelman, R. Craigie and D. R. Davies

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Crystal structure of PU.1 ETS domain–DNA complex: a new pattern for helix-turn-helix recognition

K. R. Ely, R. Kodandapani, F. Pio, C.-Z. Ni, G. Piccialli, S. McKercher, M. Klemsz and R. A. Maki

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The crystal structure of the human papillomavirus 31 E2 DNA binding domain in the absence of DNA

V. L. Giranda, X. Kong, D. Egan, F. Lindh, T. Holzman, H. S. Yoon and T. Robins

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Structure of the lactose operon repressor and its complexes with DNA and inducer

M. A. Kercher, G. Chang, N. C. Horton, P. Lu, J. H. Miller, H. C. Pace and M. Lewis

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Inhibition of HIV-1 reverse transcriptase via a substrate inhibitor complex: structural implications

M. L. Kopka, M. Filipowsky and R. E. Dickerson

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Crystal structure of Klenow-analogous fragment of Thermus aquaticus DNA polymerase I at 2.5 Å resolution

S. Korolev, M. Nayal, W. M. Barnes, E. Di Cera and G. Waksman

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Structural analysis of the TBP/TFIIB/ DNA complex from the hyperthermophilic archaea Pyrococcus woesei

P. Kosa, B. DeDecker, G. Ghosh and P. B. Sigler

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Crystallization and preliminary characterization of a hyperthermostable archeal DNA polymerase

C. Mao, M. Zhou, J. R. Kiefer, R. Kucera, M. Southworth, F. Perler and L. S. Beese

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DNA-binding domain of OmpR, a difficult structure determination

E. Martínez-Hackert, H. Berman and A. Stock

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Structural basis for the removal and exclusion of uracil from DNA

C. D. Mol, G. Slupphaug, A. S. Arvai, J. A. Tainer, B. Kavli and H. E. Krokan

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DNA polymerase II from Escherichia coli

C. R. A. Muchmore, M. M. Blair, L. Shuvalova, M. F. Goodman and W. F. Anderson

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Refinement strategies for protein–nucleic acid complexes

G. N. Parkinson, B. Schneider, J. Vojtechovsky, R. H. Ebright and H. M. Berman

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The battle for iron – crystallographic studies of the iron-dependent repressor proteins from C. diptheria and M. tuberculosis

E. Pohl, X. Qiu, R. K. Holmes and W. G. J. Hol

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Studies towards the X-ray crystal structure of helicases

C. Putnam and J. Tainer

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Progress in the structure determination of a human topoisomerase I–DNA complex

M. R. Redinbo, L. Stewart, E. Pohl, X. Qiu, J. J. Champoux and W. G. J. Hol

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Crystallographic studies of the archaeal intron encoded endonuclease I-DmoIl

G. H. Silva, J. Z. Dalgaard, M. Belfort and P. Van Roey

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Crystal structural analysis of three surface mutants of the gene V protein of M13

S. Y. Su, Y. G. Gao, H. Robinson, H. Zhang, T. C. Terwilliger and A.H.-J. Wang

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The three-dimensional structure of an ATP-dependent DNA ligase from bacteriophage T7

H. S. Subramanya, A. J. Doherty, S. R. Ashford and D. B. Wigley

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X-ray crystallographic studies of a complex of MMLV reverse transcriptase with nucleic acid

D. Sun, S. Jessen and M. Georgiadis

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A high-resolution structure of an EcoRV–DNA complex

M. P. Thomas, E. L. Hancox, S. E. Halford and R. L. Brady

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Crystal structure of the DNA gyrase B protein from B. stearothermophilus

F. T. F. Tsai, H. S. Subramanya, J. A. Brannigan, A. J. Wilkinson, T. Skarzynski, O. M. P. Singh, A. J. Wonacott and D. B. Wigley

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Crystal structure of the DNA-binding domain of MBP1, a transcription factor important in progression from G1 to S phase

R.-M. Xu, C. Koch, K. Nasmyth and X. Cheng

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Crystallization of the feline immunodeficiency virus integrase protein

A. E. Maris, Y. Shibagaki, M. L. Kopka, T. K. Chiu, S. A. Chow and R. E. Dickerson

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Crystallisation of HPV-16 E2 DNA-binding domain Apo- and co-crystals

S. Roberts, H. Muirhead and T. Clarke

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RepA1, a replication control protein of the RepFIC replicon of plasmid ENTP307

S. E. V. Phillips, H. Song, R. Maas and M. R. Parsons

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How does Gln-tRNA synthetase aminoacylate the correct tRNA with the correct amino acid?

T. A. Steitz, L. F. Silvian and V. L. Rath

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tRNA recognition by procaryotic aspartyl tRNA-synthetases

D. Moras, L. Moulinier, C. Briand, S. Eiler, A. Poterzmann and J. C. Thierry

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The crystal structure of phenylalanyl-tRNA synthetase from Thermus thermophillus complexed with cognate tRNA^Phe

M. Safro, Y. Goldgur, L. Mosyak, L. Reshetnikova, O. Lavrik and V. Ankilova

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Ternary complex of Phe-tRNA, EF-Tu and a GTP analog

J. Nyborg, P. Nissen, M. Kjeldgaard, S. Thirup, G. Polekhina, B. F. C. Clark and L. Reshetnikova

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RNA modification by base exchange: structure of tRNA-guanine transglycosylase

C. Romier, K. Reuter, D. Suck and R. Ficner

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PyrR, a bifunctional RNA-binding transcriptional attenuation protein and uracil phosphoribosyltransferase

D. R. Tomchick, J. L. Smith, R. J. Turner and R. L. Switzer

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U1A spliceosomal protein binds to two different RNA targets using the same strategy

K. Nagai, O. Oubridge, S. Price, L. Jovine, J. Avis and P. R. Evans

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Crystal structures of signal recognition particle (SRP) SRP9 protein and SRPΦ14/9 fusion protein

D. E. A. Birse, A. Åberg, K. Brown, S. Doublié, U. Kapp, K. Strub and S. Cusack

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tRNA and amino acid recognition by class II aminoacyl-tRNA synthetases

S. Cusack, A. Åberg, A. Yaremchuk, C. Berthet, L. Seignovert, R. Leberman and M. Tukalo

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Structures of tryptophanyl-tRNA synthetase–ligand complexes

X. Huang and C. W. Carter Jr

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2.9 Å crystal structure of ligand-free tryptophanyl-tRNA synthetase

V. Ilyin, C. W. Carter Jr, E. Winborne, B. Temple and G. Li

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Crystallographic structures of ribosomal proteins and elongation factor G

A. Liljas, M. Garber, A. Avarsson, S. Al-Karadaghi, N. Davidova, I. Eliseikina, N. Fomenkova, O. Gryaznova, N. Nevskaya, S. Nikonov, A. Nikulin, J. Unge and J. Zheltonosova

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Crystallization and refined structure of ribonuclease S complexed with a substrate analog

I. V. Pechik and G. L. Gilliland

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Crystal structures of highly specific Aspergillus ribotoxins, restrictocin and mitogillin

X. Yang, S. Martinez, J. Smith and K. Moffat

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Crystal structure of tryptophanyl-tRNA synthetase complexed to indolmycin, a species-specific inhibitor

Y. Yin and C. W. Carter Jr

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Structure of the mosquitocidal toxin from Bacillus sphaericus

J. P. Allen, C. K. Chiou, E. Davidson, T. Thanabalu and A. Porter

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Crystal structure of BPI, the human bactericidal/permeability-increasing protein

L. J. Beamer, S. F. Carroll and D. Eisenberg

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X-ray structure of vipoxin, a complex between toxic phospholipase A₂ and its natural inhibitor

Ch. Betzel, M. Perbandt, T. S. Singh and N. Genov

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Crystallization and preliminary characterization of the tetramerization domain from the potassium channel Kv3.1

K. A. Bixby, P. J. Pfaffinger, C. F. Stevens and S. Choe

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Crystal structure of the human adenovirus protease with its 11 amino-acid cofactor at 1.6 Å resolution

J. Ding, W. J. McGrath, W. F. Mangel and R. M. Sweet

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Structure determination of yeast cofilin

A. A. Fedorov, P. Lappalainen, E. V. Fedorov, D. G. Drubin and S. C. Almo

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Progress torwards the crystal structure of Ffh, the bacterial homolog of SRP54

D. Freymann, R. Keenan, R. Stroud and P. Walter

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Three-dimensional structure of human C-reactive protein

T. J. Greenhough, G. M. T. Cheetham, D. Holden, D. A. A. Myles, W. G. Turnell, J. E. Volanakis, M. B. Pepys, A. C. Bloomer and A. K. Shrive

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Crystal structure of the 29 kDa sub-unit of the recombinant platelet-activating factor acetylhydrolase

Y. S. Ho, Z. Dauter, K. Inoue and Z. S. Derewenda

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A left-handed β-helix revealed by the crystal structure of a carbonic anhydrase from an archaeon

C. Kisker, H. Schindelin and D. C. Rees

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Crystallographic study of the tetramerization domain of a Shaker-type potassium channel

A. Kreusch, P. J. Pfaffinger, C. F. Stevens and S. Choe

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Crystal structure of thymidylate kinase from Saccharomyces cerevisiae with substrate bound

A. Lavie, I. Vetter, M. Konrad, R. Goody, J. Reinstein and I. Schlichting

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Crystal structure of SAICAR synthase from Saccharomyces cerevisiae

V. M. Levdikov, V. V. Barynin, A. I. Grebenko, W. R. Melik-Adamyan, V. S. Lamzin and K. S. Wilson

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Structure of the bacteriochlorophyll a protein from Chlorobium tepidum

Y. F. Li, W. Zhou, R. E. Blankenship and J. P. Allen

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Crystal structure of cyanobacterial photolyase (DNA photoreactivating enzyme) from Anacystis nidulans

K. Miki, T. Tamada, K. Kitadokoro, Y. Higuchi, A. Yasui, P. E. de Ruiter and A. P. M. Eker

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Structure of macrophage migration inhibitory factor from human lymphocytes

A. Nakagawa, H. Sugimoto, M. Suzuki, I. Tanaka and J. Nishihira

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X-ray structure determination of human GRO/MGSA protein

H. Ohishi, M. Sugawara, H. Nakayama and K. Tomita

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Crystal structure of enolpyruvyltransferase, the target of the antibiotic fosfomycin

E. Schönbrunn, A. Perrakis, S. Eschenburg, F. Krekel, N. Amrhein, E. Mandelkow and S. Sack

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Progress in determining the structure of fragment D from human fibrinogen

G. Spraggon, S. J. Everse and R. F. Doolittle

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Crystallographic studies of the human pentraxins, serum amyloid P component and C-reactive protein

D. Thompson, I. J. Tickle, T. L. Blundell, M. B. Pepys and S. P. Wood

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Crystals of the augmentor of liver regeneration

C.-K. Wu, J. P. Rose, A. Francavilla, J. G. Prelich, A. Iacobellis, M. Hagiya, A. Rao, T. Starzl and B. C. Wang

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Crystal structure analysis of bovine heart cytochrome c oxidase

H. Yamaguchi, T. Tsukihara, H. Aoyama, E. Yamashita, T. Tomizaki, K. Shinzawa-Itoh, R. Nakashima, R. Yaono and S. Yoshikawa

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The structure of an RNA pseudoknot that inhibits HIV-1 reverse transcriptase

C. E. Kundrot, C. L. Barnes and S. E. Lietzke

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Crystal structure of human cyclin H, a cell cycle regulatory protein

K. K. Kim, H. M. Chamberlin, D. O. Morgan and S.-H. Kim

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Structure of Bcl-X_L, a dominant inhibitor of programmed cell death

S. W. Muchmore, M. Sattler, H. Liang, R. P. Meadows, J. E. Harlan, D. Nettesheim, B. Chang, C. B. Thompson, S.-L. Wang, S.-C. Ng and S. W. Fesik

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Crystal structure of the immunodominant chaperonin-10 of Mycobacterium leprae

S. C. Mande, V. Mehra, B. R. Bloom and W. G. J. Hol

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The crystal structure of colicin IA

M. Wiener, D. Freymann, P. Ghosh and R. Stroud

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The crystal structure of the assembly domain of the cartilage oligomeric matrix protein: a pentameric coiled-coil

V. Malashkevich, V. Efimov, R. Kammerer and J. Engel

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Crystal structures of a variety of catalytic antibody Fabs at 2.0 Å resolution

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Crystal structure of the guanine nucleotide dissociation inhibitor (GDI) determined at 1.81 Å resolution

K. Zeng, I. Schalk, S.-K. Wu, E. A. Stura, J. Madison, M. Huang, T. Anurag, W. E. Balch and I. A. Wilson

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The structure of EF-Tu·EF-Ts complex suggests a mechanism for nucleotide release

T. Kawashima, C. Berthet-Colominas, M. Wulff, S. Cusack and R. Leberman

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Gamma-fibrinogen: crystal structure of a 30 kDa C-terminus fragment at 2.1 Å resolution

V. C. Yee, K. P. Pratt, H. C. Cote, I. Le Trong, D. W. Chung, R. E. Stenkamp and D. C. Teller

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Structural basis of calcium-induced E-cadherin rigidification and dimerization

B. Nagar, M. Overduin, M. Ikura and J. M. Rini

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A threefold symmetric β-prism fold without internal sequence homology in the structure of the two-chain lectin jacalin

M. Vijayan, K. Sekar, R. Banerjee, S. K. Mahanta, A. Surolia and R. Sankaranarayanan

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DNA recognition by protein complexes during eukaryotic transcription initiation

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Initial phasing in ribosomal crystallography

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The crystallographic structure of a G protein heterotrimer

S. R. Sprang, M. A. Wall, D. E. Coleman, E. Lee, J. A. Iniguez-Lluhi, B. A. Posner and A. G. Gilman

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The cellulosome: a novel mechanistic concept in macromolecular aggregates

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Dancing with the elephant: structure and assembly of the fiber-forming protein pilin

J. A. Tainer, H. E. Parge, K. T. Forest and E. D. Getzoff

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GroEL and its liganded states

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Structure of the allosteric tetramer threonine deaminase

T. Gallagher, E. Eisenstein, D. Chinchilla, J. Zondlo and G. Gilliland

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Cubic tetragonal and orthorhombic crystal forms of horse spleen apoferritin

S. Geoffre, B. Gallois, A. Dautant, T. Granier, B. Langlois d'Estaintot, M. A. Michaux and G. Précigoux

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The monoclinic crystal structure form of bacterioferritin from E. coli

M. Hospital, A. Dautant, J. Yariv, G. Précigoux, A. J. Kalb (Gilboa), F. Frolow and R. M. Sweet

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Crystallographic studies on the icosahedral core of the pyruvate dehydrogenase multienzyme complex from Bacillus stearothermophilus

T. Izard, R. N. Perham, A. de Kok and W. G. J. Hol

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Molecular aggregation of the neurophysins

J. P. Rose and B.-C. Wang

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Crystallographic investigations of erythrocruorin from Lumbricus terrestris

K. Strand and W. Royer Jr

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X-ray structure of eukaryotic E3, lipoamide dehydrogenase, from yeast

T. Toyoda, A. Takenaka and T. Sekiguchi

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Crystal structure of a new heat-labile enterotoxin, LT-11b, that can ADP-ribosylate Gs-alpha

F. van den Akker, S. Sarfaty, E. Twiddy, R. K. Holmes and W. G. J. Hol

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Structural studies of poliovirus assembly and cell-entry intermediates

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The structure of intact human rhinovirus 14 complexed with Fab17-IA

T. J. Smith, E. S. Chase, T. Schmidt, N. H. Olson and T. S. Baker

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Structural studies on orbiviruses

J. Grimes, P. Gouet, A. Basak, G. Sutton, P. Roy, N. Burroughs, B. V. V. Prasad, P. Mertens and D. Stuart

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Structures of influenza virus proteins

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The structure of turnip yellow mosaic virus (TYMV) at 3.2 Å resolution

M. A. Canady, S. B. Larson, J. Day and A. McPherson

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Structure of human rhino virus 50 at 1.8 Å

E. Blanc, R. S. Alexander, M. McMillan, D. C. Pevear, V. Giranda and M. S. Chapman

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Structure-based design of peptide presentation on a viral surface: the crystal structure of a plant/animal virus chimera at 2.8 Å resolution

T. Lin, C. Porta, G. Lomonossoff and J. E. Johnson

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Structural studies of an HRV 14:HIV-1 V3 loop chimera that induces neutralizing antibodies against HIV-1

E. Arnold, D. A. Resnick, J. Ding, S. C. Geisler, G. Kamer and G. F. Arnold

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Structure of coxsackie virus B1 complexed with an antiviral agent

K. N. Lentz, A. D. Smith, S. C. Geisler, S. Cox, J. DeMartino, V. Girijavallabhan, J. O'Connell and E. Arnold

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Crystallization of EIAV p26

Z. Jin, A. J. Birkett, L. Jin, D. L. Peterson and C. L. Lawson

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Interaction of intercellular adhesion molecule-1 (ICAM-1) and human rhinovirus (HRV) and the role of charge

P. R. Kolatkar, J. Bella, W.-M. Lee, R. Rueckert and M. G. Rossmann

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Structural studies of the rous sarcoma virus (RSV) capsid protein

L. C. Kovari, C. Momany, F. Miyagi, R. Zhao, S. Campbell, B. Vong, V. M. Vogt and M. G. Rossmann

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Identification of a protein-binding site of the alphavirus capsid protein and implication in virus assembly

S. Lee, K. E. Owen, H. Choi, R. J. Kuhn and M. G. Rossmann

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X-ray structure of carnation mottle virus at 3.2 Å resolution

A. M. Mikhailov, E. Yu. Morgunova and B. K. Vainshtein

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Crystallization and preliminary X-ray structure investigation of the porcine vesicular exanthema virus (S-72 strain)

A. M. Mikhailov, V. A. Perevozchikov and A. N. Kornev

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Poliovirus 3C protease crystallization and structure solution

S. C. Mosimann, M. Chernaia, S. Plotch, Y. Gluzman and M. N. G. James

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Implications for the trimeric structure of the SIV matrix antigen

Z. Rao, E. Fry, I. Jones, P. Roy and D. Stuart

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Reovirus cores: progress toward a structure

K. M. Reinisch, M. L. Nibert and S. C. Harrison

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Crystal structure of coxsackie virus A9

J. Tate, M. Smyth, T. Hyypiä and D. Stuart

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Crystal structure of human rhinovirus 3 and comparison with other rhinoviruses

R. Zhao, M. Kremer, R. Kuhn, M. Rossmann, D. Pevear, V. Giranda, J. Kofron and M. McKinlay

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Crystallographic study of a feline calicivirus

L. Zhou and M. Luo

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Crystal structure of a complex between the extracellular domain of the human erythropoietin receptor and an agonist peptide

O. Livnah, E. A. Stura, D. L. Johnson, L. K. Jolliffe and I. A. Wilson

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Three-dimensional structure of human interferon-γ complexed to its cell receptor

D. Thiel, M. le Du, R. Walter, A. D'Arcy, C. Chene, M. Fontoulakis, G. Garotta, F. Winkler and S. Ealick

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Refined structures of heterotrimeric G protein complexes at high resolution

J. Sondeck, A. Bohm, D. G. Lambright, N. P. Skiba, J. P. Noel, H. E. Hamm and P. B. Sigler

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Structural analysis of a dimeric state of the first intracellular domain of PTPa, a protein receptor-like tyrosine phosphatase

A. M. Bilwes, J. den Hertog, T. Hunter and J. P. Noel

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PH domains: diverse sequences with a common membrane association function

K. M. Ferguson, M. A. Lemmon, J. Schlessinger and P. B. Sigler

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Architecture and intrasteric regulation of giant protein kinases

B. Kobe, J. Heierhorst, S. C. Feil, M. W. Parker, G. M. Benian and B. E. Kemp

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Crystal structure of a histidine kinase domain of the anaerobic sensor protein ArcB from E. Coli

T. Hakoshima, M. Kato, T. Shimizu, K. Ishige and T. Mizuno

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Structure of the phosphorylated form of the CDK2:cyclin-A complex

P. D. Jeffrey, A. A. Russo and N. P. Pavletich

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Hormone binding to the thyroid hormone receptor

R. Fletterick, R. Wagner, J. Baxter, A. Shiau and J. Apriletti

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Crystal structure of mTNF

K. J. Baeyens, P. Brouckaert, A. Raeymaekers, W. Fiers, C. J. De Ranter and H. L. De Bondt

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Crystal structure of CheR, bacterial chemotaxis receptor methyltransferase

S. Djordjevic and A. Stock

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Crystal structure of the SH2 domain of the protein SHC: pH-dependent self-association

K. Fütterer, S. Réty, R. A. Grucza and G. Waksman

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Structure and importance of the dimerization domain in elongation factor Ts from Thermos thermophillus

Y. Jiang, S. Nock, M. Nesper, M. Sprinzl and P. B. Sigler

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Yeast cytosolic cyclophilin A as analogy of human isoform

M. Konno, S. Fujioka and A. Kashima

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Crystal structure of a phosphatase resistant mutant of sporulation response regulator Spo0F from Bacillus subtilis

Madhusudan, J. M. Whiteley, J. A. Hoch, J. Zapf, N. H. Xuong and K. I. Varughese

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A dominant-negative mutant of E. coli maltose-binding protein: X-ray structures and general lessons

S. L. Mowbray and B. H. Shilton

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Cell cycle proteins

M. E. Noble, J. A. Endicott, N. R. Brown, E. Garman, R. Dzivenu, A. Lawrie, L. N. Johnson, P. Nurse and R. T. Hunt

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Crystallographic and biochemical analysis of an inhibitor of apoptosis, Bcl-2

J. W. O'Neill and K. Zhang

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The structure of protein tyrosine phosphatase-1B complexed to a high affinity inhibitor

A. D. B. Pannifer, T. R. Burke Jr and D. Barford

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Crystallographic analysis of a fragment from chicken tenascin containing two fibronectin-type III domains

K. Piontek, D. Bisig, P. Weber, L. Vaughan and K. Winterhalter

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Current progress on crystallographic complexes of transducin

S. M. Redford, H. Hamm and J. Noel

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Refined crystal structures of TNF-α and TNF mutant R31D

C. Reed, Z.-Q. Fu, J. Wu, Y.-N. Xue, M.-J. Chen and I. T. Weber

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Refinement of native and mutant verotoxin B-subunit structures

A. M. Sharp, P. E. Stein, A. Boodhoo and R. J. Read

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Atomic structure of PotD – the primary receptor of spermidine/putrescine transport system in E. coli

D. G. Vassylyev, S. Sugiyama, M. Matsushima, K. Kashiwagi, K. Igarashi and K. Morikawa

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Crystallographic analysis of the MAP kinase P38

Z. Wang, J. Han and E. J. Goldsmith

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1.7 Å structure of the C-terminal SH2 domain of the P85 subunit of human phosphatidylinositol 3-kinase

S. Weston, D. Derbyshire, A. Breeze and R. Pauptit

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Crystal structure of human interleukin-10 at 1.6 Å resolution

A. Zdanov, C. Schalk-Hihi and A. Wlodawer

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Combined study of purinergic transduction using crystallographic and electrophysiological techniques

V. A. Panchenko, F. Rodrigues-Pascual, M. T. Miras-Portugal and O. A. Krishtal

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Atomic interactions between proteins and carbohydrates

F. A. Quiocho, N. K. Vyas, M. N. Vyas, J. C. Spurlino, L. E. Rodseth and D. R. Bundle

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X-ray crystal structures of galectins and their carbohydrate complexes

J. M. Rini, A. I. Kanigsberg, J. Seetharaman, C. S. Kayden, H. Leffler and S. H. Barondes

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Receptor recognition, protein-carbohydrate interactions and a search for receptor antagonists of the cholera toxin family

W. G. J. Hol, E. Merritt, F. van den Akker, I. Feil, S. Sarfaty, W. Minke and C. Verlinde

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Substrate recognition by enzymes that release oligosaccharides from glyco-proteins

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Structural studies on cellulase–oligosaccharide complexes

G. Davies, G. Sulzenbacher, B. Henrissat, H. Driguez and M. Schülein

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The structure of the amino-terminal IG-like sialic acid binding domain of sialoadhesin

A. May, R. C. Robinson, P. Bradfield, M. Vinson, P. R. Crocker and E. Y. Jones

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Rhamnogalacturonase A from Aspergillus aculeatus. A right-handed β-helix fold

T. N. Peterson and S. Larsen

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Light at the end of a 50 Å long tunnel: crystal structures of enzyme–oligosaccharide complexes reveal how cellobiohydrolase I binds cellulose

C. Divne, J. Ståhlberg and T. A. Jones

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The roles of key residues in the 4/7 superfamily of glycosyl hydrolases revealed by cellulase:substrate complex

J. Sakon, S. Thomas, M. Himmel and P. A. Karplus

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Preliminary X-ray study of Tetracarpidium conophorum agglutinin II, an isolectin from the Nigerian walnut

T. Barrett, K. Henrick, G. Dodson, T. Animashaun and C. Hughes

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Sugar in your garden/diet: lectin/sugar complexes

P. J. Rizkallah, C. D. Reynolds, S. D. Wood, L. M. Wright, R. Kelly, P.-W. Lei, R. Loris and A. K. Allen

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A mutant shiga-like toxin IIv bound to its receptor

H. Ling, A. Boodhoo, G. D. Armstrong, C. G. Clark, J. L. Brunton and R. J. Read

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Crystallization and preliminary X-ray diffraction study of Trichosanthes kirilowii lectin

Y.-P. Wang, J.-S. Pan, K.-Y. Wang and R.-C. Bi

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Crystallization and preliminary X-ray diffraction analysis of discoidin I

Y. D. Lobsanov, J.-K. Chiu, C.-H. Siu and J. M. Rini

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Structure of a galactose-specific C-type animal lectin

A. R. Kolatkar and W. I. Weis

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Probing the active site of endo H by mutagenesis and X-ray crystallography

V. Rao and P. Van Roey

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Crystallographic studies on maltotetraose-forming amylase from Alcaligenes sp.

J.-H. Ma, Z.-Z. Yan, Y.-P. Wang, Y. Han and R.-C. Bi

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Preliminary structure characterisation of human acid β-glucosidase

F. Luo and H. Ke

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Structural implication of two saccharide conformations in the active site of a β-glycosidase

A. White, D. Tull, K. L. Johns, S. G. Withers and D. R. Rose

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Inhibitor rearrangement following complex formation between acarbose and human pancreatic α-amylase

Y. Luo, S. G. Withers, C. M. Overall and G. D. Brayer

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Importance of glutamic acid 35-tryptophan 109 contact in the maintenance of the catalytic cleft geometry of human lysozyme

M. Muraki, S. Goda, H. Nagahora and K. Harata

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MIRAS phasing of the crystal structure of the glycogen debranching enzyme from mammalian muscle

J. P. W. Petersen, E. M. Bergmann, N. B. Madsen and M. N. G. James

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Co-crystal structures of basic fibroblast growth factor complexed with di- and trisaccharide heparin analogs

A. B. Herr, D. M. Ornitz and G. Waksman

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The crystal structure of the IIA domain of the mannose transporter from Escherichia coli at 1.7 Å resolution

R. S. Nunn, Z. Markovic-Housley, J. C. Genovesio-Taverne, K. Flukiger, P. J. Rizkallah, J. N. Jansonius, B. Erni and T. Shirmer

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Interaction of chitobiose with PNGase F mutants

P. Kuhn and P. Van Roey

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Preliminary crystallographic analysis of chondroitinase AC from Flavobacterium heparinum

J. Féthière, B. H. Shilton, Y. Li, M. Laliberté, B. Eggimann and M. Cygler

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Mapping the structural features of metal- and carbohydrate binding to concanavalin A

J. Bouckaert, R. Loris, D. Maes, F. Poortmans and L. Wyns

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Structure of recombinant salivary α-amylase: possible role of the individual domains in dental plaque formation

K. Ramalingam, C.-C. Tseng, N. Ramasubbu and M. J. Levine

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Early days of structure-based drug design, the Trusopt story

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HIV-protease as a target molecule in the treatment of AIDS

J. P. Priestle, A. Fässler, G. Bold, H.-G. Capraro, J. Rösel, M. Tintelnot-Blomley, M. G. Grütter and M. Lang

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Crystal structures of HIV-1 RT and non-nucleoside inhibitor complexes: implications for drug design

J. Ren, R. Esnouf, A. Hopkins, C. Ross, E. Y. Jones, D. Stammers and D. Stuart

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An influenza virus neuraminidase variant with decreased sensitivity to the neuraminidase inhibitor 4-guanidino-Neu5Ac2en

J. N. Varghese, P. M. Colman, T. J. Blick, T. Tiong, S. Sahasrabudhe and J. L. McKimm-Breschkin

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Structure-based design of thrombin active-site inhibitors

J. S. Sack, S. L. Ohringer, C. Y. Y. Chang, M. F. Malley, L. Tabernero and H. M. Einspahr

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Spelunking stromelysin: a case history of structure-based drug design

J. J. Birktoft, R. Crowther, U. Kammlott, B. Graves, D. Waugh, W. Levin, N. Fotouhi, K. Hull, A. Hanglow, S. Pietranico, C. Michoud and M. Visnick

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Structure-based design of calcineurin inhibitors

C. R. Kissinger, H. Parge, D. Knighton, L. Pelletier, A. Tempczyk, J. Tatlock and E. Villafranca

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Human plasma albumin: the second step in structure-based drug design

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The molecular basis of HIV-1 protease drug resistance

P. Ala, E. Huston, R DeLoskey, J. Duke, B. Korant and C.-H. Chang

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Phosphoglycerate kinase from Trypanosoma brucei: selective inhibitors, homology modeling and crystallization

B. E. Bernstein, C. L. M. J. Verlinde and W. G. J. Hol

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Structural studies of inhibitor complexes of HIV-1 protease and of its drug resistance mutants

T. N. Bhat, R. S. Randad, A. Y. Lee, L. Lubkowska, S. Munshi, B. Yu, S. Gulnik, P. J. Collins and J. W. Erickson

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Complexes of calmodulin with antagonists

Z. Böcskei, V. Harmat, D. Menyhárd, G. Náray-Szabó, B. Vértessy and J. Ovádi

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Structure analysis of key drug design target enzymes from human pathogens

C. M. Bruns, A. S. Arvai, A. J. Nowalk, T. A. Mietzner, D. E. McRee and J. A. Tainer

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The structure of a self-associated complex of stromelysin

G. L. Bryant Jr, E. T. Baldwin, L. C. Kelley and B. C. Finzel

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Rational design of sulfonamide inhibitor specific for human carbonic anhydrase I isozyme

S. Chakravarty, S. Ghose, A. Bannerjee and K. K. Kannan

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The crystal structure of human α-thrombin/LY178550 complex: 5-amidinoindole-4-benzylpiperidine non-peptidal active site inhibitor

N. Y. Chirgadze, D. J. Sall, R. Hermann, D. K. Clawson, V. J. Klimkowski, G. F. Smith, D. S. Gifford-Moore and W. J. Coffman

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Influenza B/Lee/40 neuraminidase: X-ray structure of enzyme complexed with 4-guanidino-Neu5Ac2en

N. Y. Chirgadze, J. M. Colacino, K. A. Staschke, K. Briner, W. J. Hornback, J. E. Munroe, R. Loncharich and W. G. Laver

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Resistance of influenza A and B viruses to 4-guanidino-Neu5Ac2en

N. Y. Chirgadze, J. M. Colacino, K. A. Staschke, A. Baxter, G. Air, A. Bansal, E. Garman, J. Tang, W. J. Hornback, J. E. Munroe and W. G. Laver

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Towards rational drug design: crystal structures of glycinamide ribonucleotide transformylase

S. E. Greasley, V. Reyes, E. A. Stura, M. S. Warren, S. J. Benkovic, N. E. Haynes, D. Boger and I. A. Wilson

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Structure-based drug design with HIV integrase

J. Greenwald, O. Vix, C. Farnet, F. Bushman and S. Choe

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High-resolution crystal structure of deoxy sickle cell hemoglobin

D. J. Harrington, K. Adachi and W. E. Royer Jr

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Towards unravelling the structure of an antibiotics-inactivating enzyme – kanamycin kinase

W.-C. Hon, G. D. Wright, D.S.-C. Yang and A. M. Berghuis

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Conformational changes in HIV-1 reverse transcriptase relevant to the design of potent inhibitors

A. Hopkins, J. Ren, R. Esnouf, C. Ross, E. Y. Jones, D. Stammers and D. Stuart

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Structure-based drug design of a novel series of human cathepsin D inhibitors

A. Y. Lee, P. Majer, S. V. Gulnik, J. Collins, A. M. Silva, N. T. Bhat and J. W. Eriksson

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Three-dimensional structures of E. coli PNP complexes

C. Li and S. Ealick

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Thrombin complexes with thiazole-based inhibitors: useful probes of the S1' binding site

J. H. Matthews, R. Krishnan, M. J. Costanzo, B. E. Maryanoff and A. Tulinsky

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Unique binding of a novel synthetic inhibitor to bovine trypsin

Y. Odagaki, H. Nakai, K. Senokuchi, M. Kawamura, N. Hamanaka, M. Nakamura, K. Tomoo and T. Ishida

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Refined crystal structure of bovine spleen purine nucleoside phosphorylase at 1.6 Å resolution

M. J. Pugmire, C. Mao and S. E. Ealick

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The crystal structure of α-thrombin with a new type of inhibitor: aeruginosin 298-A

J. L. Rios Steiner and A. Tulinsky

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Characterization of a non-competitive inhibitor of human glutathione reductase

S. N. Savvides and P. A. Karplus

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Structure and inhibition of plasmepsin II, a hemoglobin-degrading enzyme from P. Falciparum

A. M. Silva, A. Y. Lee, S. V. Gulnik, P. Majer, J. Collins, T. N. Bhat, P. J. Collins, R. E. Cachau, K. E. Luker, I. Y. Gluzman, S. E. Francis, A. Oksman, D. E. Goldberg and J. W. Erickson

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Crystal structures of two thrombin complexes with novel peptide mimetic inhibitors

R. St Charles, P. Vanderhoff-Hanaver, D. Boatman, C. Ogdu and A. Tulinsky

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Structure-based discovery of a new class of enzyme inhibitors

T. J. Stout, M. P. Costi, D. Barlocco, M. Rinaldi, B. Shoichet, K. M. Perry, I. D. Kuntz and R. M. Stroud

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Crystal structure of influenza virus neuraminidase with inhibitor 3,5-diguanidino-4-(N-acetylamino)benzoic acid

E. A. Sudbeck, M. J. Jedrzejas, S. Singh, W. J. Brouillette, G. M. Air, W. G. Laver, Y. S. Babu, S. Bantia, P. Chand, N. Chu, J. A. Montgomery, D. A. Walsh and M. Luo

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Sialidase inhibitors to prevent bacterial vaginosis related prematurity

J. Tsao, C. White and M. Luo

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High-resolution X-ray structure of bovine purine nucleoside phosphorylase with inhibitors

W. Wang and S. E. Ealick

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Structures of Candida albicans dihydrofolate reductase: holoenzyme and ternary inhibitor complexes

M. Whitlow, A. J. Howard, D. Stewart, K. D. Hardman, L. F. Kuyper, D. P. Baccanari, M. Fling, J. H. Chan and R. L. Tansik

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Stereochemical considerations in drug design: the crystal structures of human α-thrombin complexed with two tripeptidyl aldehyde inhibitors at 2.1 Å resolution

E. Zhang, R. K. Arni, O. E. Levy and A. Tulinsky

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Crystal structures of the novel cysteine protease, cathepsin K, in complex with the inhibitor E-64

B. Zhao, C. A. Janson, W. W. Smith, M. McQueney, C. Jones and S. S. Abdel-Meguid

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Structural basis of myosin motility

I. Rayment, A. J. Fisher, C. A. Smith, A. Gulick, R. Smith, H. M. Holden and K. Sutoh

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What can the regulatory domain of myosin tell us about regulation?

A. Houdusse and C. Cohen

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Structure of molecular tracks and motors

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An open state of β-actin and the solid-state transformations of profilin:β-actin crystals

J. K. Chik, U. Lindberg and C. E. Schutt

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From structure to function of plasma gelsolin

L. D. Burtnick, E. K. Koepf, J. M. Grimes, E. Y. Jones, D. I. H. Stuart, P. McLaughlin and R. C. Robinson

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Structural studies of the motor protein kinesin by image reconstruction and X-ray crystallography

E. Mandelkow, F. Kozielski, A. Marx, E. Schonbrunn, S. Sack, V. Biou, A. Thompson, M. Thormahlen and E.-M. Mandelkow

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Crystal structure of the kinesin motor domain reveals a structural similarity to myosin

F. J. Kull, E. P. Sablin, R. Lau, R. J. Fletterick and R. Vale

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Three-dimensional structure of the motor domain of NCD, a kinesin-related motor with reversed polarity of movement

E. P. Sablin, F. J. Kull, R. Cooke, R. D. Vale and R. J. Fletterick

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Adventures in X-ray structure determination of protein designs

D. Eisenberg, G. G. Privé, N. L. Ogihara, M. S. Weiss, D. H. Anderson and L. Wesson

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De novo design of β-helical proteins: basic research to medical application

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The design of proteins with novel structures and activities

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Towards an understanding of β-sheet structure

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Two strategies for thermostabilization in 3-isopropylmalate dehydrogenase

D. Tsuchiya, A. Takenaka, T. Sekiguchi and Y. Nosoh

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Crystal structure of an artificial 4-helix bundle protein

C. E. Schafmeister, S. LaPorte and R. M. Stroud

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Affinity maturation of antibodies in vivo and in vitro

C. Marks, K. Henric, G. Winter, R. Stevens, T. Simon and J. D. Marks

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X-ray structure of insulin mutants GlyB20Gln and GlyB8Ser–GluB13Gln: roles of glycine in the structural stability

Z. Yao, Y. Hu and D. Wang

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A comparison of crystal structures of engineered antibody fragments

M. J. Banfield, D. J. King and R. L. Brady

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X-ray structures of a designed binding site in trypsin–ecotin complex show metal-dependent geometry

L. S. Brinen, W. S. Willett, C. S. Craik and R. J. Fletterick

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X-ray crystallographic studies of collagen-like peptides

R. Kramer, J. Liu, J. Bella, M. Venugopal, P. Mayville, B. Brodsky and H. M. Berman

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Structures of an engineered blood substitute and insights into hemoglobin function

K. S. Kroeger and C. E. Kundrot

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Structure determination of the complex between diphtheria toxin and its receptor

G. V. Louie, W. Yang, M. E. Bowman and S. Choe

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Protein engineered hinged gate opens a channel to an artificial cavity

D. E. McRee, M. M. Fitzgerald, R. A. Musah and D. B. Goodin

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Toxin into vaccine: studies of AB5 bacterial toxins

E. A. Merritt, I. Feil, W. G. J. Hol, R. K. Holmes and R. Rappuoli

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The structure of a designed peptide refined to 2.1 Å resolution

N. L. Ogihara, M. S. Weiss, W. F. DeGrado and D. Eisenberg

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Binding of small electron-dense ligands in large protein cavities

M. L. Quillin, W. A. Baase and B. W. Matthews

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Crystal structure of a stable α-1-antitrypsin variant reveals the stabilization mechanism

S. Ryu, H.-J. Choi, K. N. Lee, K.-S. Kwon and M.-H. Yu

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X-ray analysis of heat-resistant mutants of HU protein

T. Tominaga, S. Kawamura, M. Kimura, A. Nakagawa and I. Tanaka

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Structural biology of IgSF cell adhesion molecules

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The crystal structure of ICAM-2, its comparison to other integrin-binding proteins

J.-H. Wang, J. Casanovas, T. Springer, J. H. Liu and S. C. Harrison

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Structural studies of catalytic antibodies with esterase activity

M. Knossow, J.-B. Charbonnier, B. Gigant, B. Golinelli, D. Tawfik, Z. Eshhar and B. S. Green

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Therapeutic antibody structures of rat and humanized (Campath-1) Fab fragments

A. C. Bloomer, G. M. T. Cheetham, G. Hale and H. Waldmann

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The anti-tumor antibody BR96: X-ray structures in antigen-bound and in free form

S. Sheriff, C. Chang, P. D. Jeffrey and J. Bajorath

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Structure of a human IgM rheumatoid factor complexed with its autoantigen IgG Fc

A. L. Corper, M. K. Sohi, R. Jefferis, M. Steinitz, A. Feinstein, D. Beale, M. J. Taussig and B. J. Sutton

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Structural analysis of a protein complex in the immune system

P. J. Bjorkman, W. P. Burmeister, M. Raghavan and D. E. Vaughn

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Crystal structure of murine CD1d1

I. A. Wilson, Z. Zeng, A. R. Castaño, B. Segelke, E. A. Stura and P. A. Peterson

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Structure of the MHC class II molecule HLA-DR4/HA306-318 peptide/superantigen complex

W. C. Stallings, A. M. Stevens, R. A. Stegeman, M. L. Zacheis, D. A. Kirschmann, T. Witman, X.-T. Fu, R. F. Karr, B. D. Schwartz and S. L. Woulfe

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Structure of a T cell receptor bound to a class I MHC-peptide complex

D. N. Garboczi, P. Ghosh, U. Utz, W. E. Biddison and D. C. Wiley

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Crystal structure of MFE-23, a clinically important anti-CEA SCFV antibody fragment, at 0.28 nm resolution

M. K. Boehm, A. L. Corper, T. Wan, M. Sohi, B. J. Sutton, J. D. Thornton, P. A. Keep, R. H. J. Begent and S. J. Perkins

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Are 'hotspots' (super flexible regions) on the surface of an antigen essential for antigen–antibody binding?

G. H. Cohen and D. R. Davies

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The high-resolution structure of an anti-hCG Fab

C. Fotinou, J. Beauchamp, A. deHaan, E. Bos and N. W. Isaacs

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Characterization of chemically synthesized hybrid CXC chemokines

T. Y. Fu, Y. W. Chen, Y. Luo, I. Clark-Lewis and G. D. Brayer

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Structural studies of catalytic antibodies

A. Heine, E. A. Stura, K. D. Janda, C. F. Barbas III, R. A. Lerner and I. A. Wilson

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Structure of the variable domain of human immunoglobulin κ_IV light chain LEN

D.-B. Huang, C. Ainsworth, C.-H. Chang, F. J. Stevens and M. Schiffer

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Crystal structure of extracellular domain of tissue factor complexes with an inhibitory Fab

M. Huang, R. J. Syed, E. A. Stura, W. Ruf, T. S. Edgington and I. A. Wilson

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Preliminary structural features of human heparin binding protein

L. F. Iversen, J. S. Kastrup and I. Kjøller Larsen

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Crystallization and preliminary X-ray study of the Viscum album ML1 toxin in its native state

N. V. Konareva, A. A. Mikhailov, A. G. Tonevitskii, I. I. Agapov, D. E. Temjakov, A. N. Popov and H. D. Bartunik

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Structural basis of HIV-1 protease inhibition by a monoclonal antibody

J. Lescar, R. Stouracova, M. M. Riottot, V. Chitarra, J. Brynda, J. Sedlacek and G. A. Bentley

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Crystal structure of outer surface protein A (OspA) of Borrelia burgdorferi complexed with a murine monoclonal Fab

H. Li, J. Dunn, B. J. Luft and C. L. Lawson

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Crystal structure of a CDR3 mutant of a T cell antigen receptor Va domain

H. Li, M. I. Lebedeva, E. S. Ward and R. A. Mariuzza

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Crystallographic studies of mutants of the chemokine macrophage inflamatory protein-1α

J. Maclean, N. W. Isaacs and G. J. Graham

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Preliminary X-ray diffraction analysis of an antibody fragment against P-glycoprotein

V. Monem, S. Vasudevan, K. L. Johns and D. R. Rose

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The molecular architecture of two microbial superantigens

A. C. Papageorgiou, H. S. Tranter, R. D. Brehm and K. R. Acharya

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The molecular structure of the lipoamide dehydrogenase domain (DLDH) of a surface antigen from Neisseria meningitidis

L. Pernot, I. Li de la Sierra, T. Prangé, P. Saludjian, M. Schiltz, R. Fourme and G. Padrón

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The 2.5 Å structure of Fab Jel42-HPr complex

L. Prasad, J. S. Lee, E. B. Waygood and L. T. J. Delbaere

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Crystal structure of human interferon-α2

R. Radhakrishnan, L. J. Walter, P. Reichert, A. Hruza, T. L. Nagabhushan and M. R. Walter

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Crystal structure of a murine monoclonal anti-ELAM IgG1 antibody 7A9 Fab fragment

A. Rodriguez-Romero, O. Almog, M. Tordova, Z. Randawa and G. L. Gilliland

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A sulfide oxidation catalytic antibody

B. D. Santarsiero, L. C. Hsieh-Wilson, P. G. Schultz and R. C. Stevens

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Metal binding in superantigens

E. M. Schad, M. Dohlsten, P. Björk and L. A. Svensson

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Crystal structure of the MHC class Ib molecule H2-M3 with four different formylated peptides

S. T. Shen, C.-R. Wang, K. Fischer Lindahl and J. Deisenhofer

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Crystal structure of an amino-acylation catalytic antibody

B. Spiller, B. D. Santarsiero, L. Hsieh and R. Stevens

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Structure and comparison of HIV-1 GP120 peptides in complex with HIV-1 neutralizing Fabs

R. I. Stanfield, J. B. Ghiara, J. M. Rini, E. A. Stura, A. C. Satterthwait and I. A. Wilson

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The three-dimensional structure of staphylococcal enterotoxin C2 from two crystal forms

S. Swaminathan, W. Furey, J. Pletcher and M. Sax

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Crystal structure of anti-P-glycoprotein Fab MRK-16 in complex with its peptide epitope

S. Vasudevan, K. Johns and D. R. Rose

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Structure of an immunodominant 38 kDa protein antigen b (Pab) from Mycobacterium tuberculosis

N. K. Vyas, M. N. Vyas, A. Choudhary, Z. Chang and F. A. Quiocho

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The crystal structures of several 48G7 catalytic antibodies with esterolytic activity

G. J. Wedemayer, L. Wang and R. C. Stevens

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Crystallization of murine T-cell receptors

D. Williams, A. Heine, E. A. Stura, J. Snook and I. A. Wilson

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Structural and mutational analysis of protein stability

B. W. Matthews, X. Zhang, J. Xu and W. A. Baase

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Citrate synthase from a mesophile, thermophile and hyperthermophile

G. L. Taylor, R. J. M. Russell, D. W. Hough and M. J. Danson

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The structure of the thermophilic glutamate dehydrogenase from Thermococcus ANI

C. A. Smith, G. E. Norris and E. N. Baker

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One sequence, two folds: crystal structure of a misfolded metastable form of CD2

R. L. Brady and A. J. Murray

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Structural insight into the function of GroEL/GroES/ADP complex

Z. Xu, A. Horwich and P. B. Sigler

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An unusual route to thermostability in pyrophosphatases

A. Goldman, T. Salminen, A. Teplyakov, B. Cooperman and R. Lahti

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Preliminary crystallographic studies of triosephosphate isomerase from the hyperthermophilic archaeon Pyrococcus woesei

G. S. Bell, R. J. M. Russell, D. W. Hough, M. J. Danson and G. L. Taylor

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The effect of denaturants on protein mobility

J. L. H. Dunbar and G. K. Farber

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Crystal structure and thermodynamics stability of Tyr to Phe mutants of human lysozyme

S. Fujii, Y. Yamagata, Y. Sumikawa, K. Takano, M. Kubota and K. Yutani

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Heavy cross-linked protein crystals and its application

Q. Huang, M. Qian, Z. Wang and Y. Tang

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Crystal structure of the yeast cell-cycle control protein, P13^suc1, in a strand-exchanged dimer

N. Khazanovich, K. S. Bateman, M. Chernaia, M. Michalak and M. N. G. James

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Structural comparison of two highly homologous thermophilic bacterial alcohol dehydrogenases

Y. Korkhin, F. Frolow, O. Bogin, M. Peretz, A. J. Kalb (Gilboa) and Y. Burstein

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Structure of calcium-free mannose-binding protein

K.K.-S. Ng, S. S. Snyder and W. I. Weis

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Why is Bacillus licheniformis α-amylase so thermostable?

A. Shaw and R. Bott

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Adaptation to extreme environments: insights from halophilic ferredoxin and acidophilic rusticyanin

M. Shoham and D. Zhao

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The behavior of concanavalin A with cross-linking reagent in the anhydrous acetonitrile

M. Qian, Q. Huang and Y. Tang

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The structure-based design of three potent inhibitors of TEM-1 β-lactamase

N. C. J. Strynadka, R. Martin, B. Jones, J. Vederas and M. N. G. James

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The crystal structure of the ImmE7 protein suggests a possible colicin interacting surface

H. S. Yuan, M. K. Safo, T.-P. Ko, W.-Y. Ku, S.-Y. Hsieh and K.-F. Chak

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P69 pertactin: LRR, PRR and efficacious vaccine

P. Emsley, I. Charles, N. F. Fairweather and N. W. Isaacs

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The 1.0 Å resolution refined structure of mating pheromone Er-1 from Euplotes raikovi

D. H. Anderson, M. S. Weiss and D. Eisenberg

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The solvent structure of concanavalin A analaysed at 2 Å and then 0.94 Å resolution

T. Gleichmann, A. Deacon, S. Trapani and J. R. Helliwell

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Conformational analysis of trypsin at atomic resolution reveals effects of crystalline environment

H. D. Bartunik and A. N. Popov

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Quantitating changes in the three-dimensional structure of variant enzymes

R. Bott and M. Knapp

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Crystal structure analysis of human transthyretin complexes with fluorescent probes

V. Cody, J. R. Luft and W. Pangborn

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New crystal forms of Escherichia coli P_II complexed with various ligands and structure solution of P_II/ATP/2-ketoglutarate

K. Edwards, P. Suffolk, P. Carr, E. Cheah and D. Ollis

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The 1.8 Å resolution crystal structure of HGPRTase from the human parasite Schistosoma mansoni with bound inhibitor

P. J. Focia, D. M. Freymann, J. R. Somoza, C. C. Wang and R. J. Fletterick

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Comparison of streptavidin WxF and WxA mutants with the native protein

S. Freitag, I. Le Trong, R. E. Stenkamp, A. Chilkoti and P. S. Stayton

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Refined crystal structure of ferredoxin from thermoacidophilic archaeon

T. Fujii, Y. Hata, M. Ohzeki, H. Moriyama, T. Wakagi, N. Tanaka and T. Oshima

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Comparison of Pneumocystis carinii dihydrofolate reductase inhibitor-cofactor ternary complexes

N. Galitsky, V. Cody, J. R. Luft, W. Pangborn, A. Gangjee and S. F. Queener

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Preliminary studies of the N and P protein complex from vesicular stomatitis virus

T. J. Green and M. Luo

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The structural nature of free fatty acid transport in circulating plasma

J. X. Ho, B. Chang, K. Keeling, E. W. Holowachuk, T. Peters and D. C. Carter

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The crystal structure of cardiotoxin V from Taiwan cobra venom at 2.19 Å resolution: role of water-binding loop in the formation of membrane-binding site of P-type cardiotoxins

C. D. Hsiao, Y.-J. Sun, W.-G. Wu, C.-M. Chiang and A.-Y. Hsin

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Non-nucleoside RT inhibitors give HIV-1 RT a crooked back

Y. Hsiou, J. Ding, K. Das, S. H. Hughes and E. Arnold

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Crystallization and crystallographic studies of bar-headed goose deoxyhaemoglobin

Z. Hua, Y. Fang, X. Zhou, Q. Xu, B. Kuang, X. Wei, G. Lu and X. Gu

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Crystallization and preliminary X-ray studies of plastocyanin from silene expressed in E. coli

T. Inoue, M. Gotowda, K. Hamada, T. Takabe and Y. Kai

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Preliminary crysallization of a cyclin-dependent kinase inhibitor: P18

S. Jarchow and H. Ke

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Crystallization and preliminary X-ray studies of phosphoenolpyruvate carboxylase from Escherichia coli

Y. Kai, T. Inoue, Y. Nagara, H. Matsumura and K. Izui

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Crystal structure of the amino terminal domain of enzyme I of the E. coli phosphoenolpyruvate:sugar phosphotransferase system

D.-I. Liao, E. Silverton, Y.-J. Seok, B. R. Lee, A. Peterkofsky and D. R. Davies

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The novel antitumor nuclease RC-PUP from Rana catesbeiana oocytes

Y.-C. Liaw, F. N. Musayev and Y.-D. Liao

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CTAP-IIIdes10: implications of amino terminal residues on chemotactic activity and receptor activation

M. G. Malkowski, J. B. Lazar, P. H. Johnson and B. F. P. Edwards

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New crystal form and crystal structure of S100B from bovine brain at 2.5 Å resolution

H. Matsumura, T. Shiba, T. Inoui, S. Harada and Y. Kai

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Crystallographic studies of catalytic-site mutant α-amylase from Bacillus subtilis

H. Mizuno, N. Doui, Z. Fujimoto, T. Matsumoto and K. Takase

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Structure investigation of the ribosomal protein L22 from Thermus thermophilus

A. Nikulin, N. Davidova, N. Nevskaya, N. Fomenkova, M. Garber, S. Nikonov, S. Al-Karadghi and A. Liljas

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Crystal structure of oxidized and reduced pseudoazurin from Achromobacter cycloclastes IAM1013

N. Nishio, T. Inoue, S. Suzuki, T. Kohzuma and Y. Kai

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A formal analysis of hinging in actin

R. Page, U. Lindberg and C. E. Schutt

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Structure of hevein, a lectin-like protein from Hevea brasiliensis at 1.9 Å resolution

K. Panneerselvam and M. Soriano-García

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Analysis of C–H⋯O hydrogen bonds in β-sheets

V. Pattabhi, G. F. Fabiola and S. Krishnaswamy

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How to avoid overfitting in refinement of structures with approximately non-crystallographic symmetry. High-resolution structure refinement of glutamine synthetase reveals evidence for homotropic cooperative binding

G. M. U. Pfluegl, H. Gill and D. Eisenberg

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The binding sites of krypton and xenon in proteins: a survey of ten complexes

T. Prangé, M. Schiltz and R. Fourme

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X-ray structure analysis of apoflavodoxin from Anabaena PCC 7119

A. Romero, C. G. Genzor and J. Sancho

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Short-circuiting a water-mediated enzyme reaction

C. R. Sage, E. E. Rutenber, T. J. Stout and R. M. Stroud

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Structural basis of chemotherapy resistance mediated by thymidylate synthase

P. H. Sayre, C. R. Sage and R. M. Stroud

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Structural comparison of amyloidogenic light-chain dimer in two crystal forms with non-amyloidogenic counterparts

N. Schormann and M. D. Benson

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Structure solution of some C-reactive proteins

A. K. Shrive, D. Holden, A. Metcalfe, D. A. A. Myles, M. Hopkins, I. D. Glover, D. Hoole, A. C. Bloomer and T. J. Greenhough

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Crystal packing interactions in streptavidin crystals

R. E. Stenkamp, S. Freitag, I. Le Trong, A. Chilkoti and P. S. Stayton

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Crystallographic evidence of a large ligand-induced conformational change between the two domains of the glutamine-binding protein

Y.-J. Sun, A.-Y. Hsin, C. Ho, B.-C. Wang and C.-D. Hsiao

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Comparison of Clara cell phospholipid-binding protein structures

T. C. Umland, S. Swaminathan, W. Furey and M. Sax

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A crystallographic examination of hemoglobin ligand binding and allostery

G. B. Vásquez, X. Ji, I. Pechik, M. Karivitis, H. Kwansa, E. Bucci, C. Fronticelli and G. L. Gilliland

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What is the structural basis for the coupling of Ca²⁺ and peptide binding by calmodulin?

S. Weigand, S. Mirzoeva, L. Shuvalova, T. Lukas, D. M. Watterson and W. F. Anderson

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Domain interactions in crystallins

G. Wright, B. Norledge, H. Driessen, C. Slingsby, R. Kroone, E. Mayr, S. Trinkl and A. Basak

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Structural and kinetic analysis of CD4 mutants that are defective in HIV binding

H. Wu, D. G. Myszka, S. W. Tendian, C. G. Brouillette, R. W. Sweet, I. M. Chaiken and W. A. Hendrickson

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Short hydrogen bonds in a protein receptor–phosphate complex: evidence from structures refined at 1 Å resolution

Z. Wang, H. Luecke and F. A. Quiocho

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Structure of the R121D mutant N-terminal lobe of human lactoferrin

B. F. Anderson, W. Breyer, R. L. Kingston, H. R. Faber, C. L. Day and E. N. Baker

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Crystal structure of calbindin D_9k binding Mg²⁺

M. Andersson, L. A. Svensson and S. Linse

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Molecular replacement studies of a nuclease inhibitor protein

C. Dennis, R. Pauptit, A. Tucker, R. James, C. Kleanthous, G. Moore and M. Osbourne

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Crystal structure of the C domain of synapsin Ia from bovine

L. Esser, C.-R. Wang, C. Smagula, T. Südhof and J. Deisenhofer

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Crystal structure determination of the SecA translocation ATPase

J. F. Hunt, S. Weinkauf, L. Henry, D. Oliver and J. Deisenhofer

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Tetranectin – a plasminogen-binding protein

I. Kjøller Larsen, B. B. Nielsen, H. Rasmussen and J. S. Kastrup

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Structural studies on maize lipid-transfer protein at 1.2 Å resolution and its oleate complex at 1.3 Å resolution

J. Y. Lee, D. H. Shin and S. W. Suh

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Crystal structure of active serpin family: implication from Manduca sexta serpin K at 2.2 Å resolution

J. Li, H. Jiang, M. R. Kanost and E. J. Goldsmith

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β-Sheet rearrangement buries arginine side chains in the hydrophobic core of cleaved antichymotrypsin hinge region variants

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Crystal structure of nonspecific lipid-transfer protein from rice seeds at 1.6 Å resolution

K. Min, J. Y. Lee, H. Cha, K. Y. Hwang and S. W. Suh

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Structures of dimorphs of rubredoxin from Desulfovibrio vulgaris Miyazaki F

S. Misaki, K. Muneo, S. Sugiyama, Y. Higuchi and N. Yasuoka

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High-resolution structures of liganded canine and feline hemoglobin reveal an alternative quaternary conformation

V. L. Robinson, T. C. Mueser, P. H. Rogers and A. Arnone

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Three-dimensional structure of human transthyretin Leu-55-Pro mutant

P. Sebastiao, Z. Dauter, M. J. Saraiva and A. M. Damas

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Inhibitor-complexed structures of an HIV-1 protease mutant displaying cross resistance to all clinical trial candidates

Y. Yan, Y. Li, H. B. Schock and Z. Chen

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Electrophile–nucleophile interaction in protein structures

P. Chakrabarti and D. Pal

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Activation of pertussis toxin by ATP: structure and biology

B. Hazes, R. J. Read and S. A. Cockle

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Is annexin III an enzyme?

A. Lewit-Bentley, B. Perron and F. Russo-Marie

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Crystal structure of an acidic neurotoxin from scorpion Buthus martensii Karsch at 1.85 Å resolution

D.-C. Wang, H.-M. Li, L. Jin and Z.-H. Zeng

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Crystal structure of bullfrog egg lectin

T. Nonaka, E. Hirayama, M. Iwama, K. Ohgi, M. Irie and Y. Mitsui

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High-resolution structures of cytochrome c mutants: fact and fantasy

R. Sanishvili, W. Qin and E. Margoliash

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Preliminary crystallographic studies of the human cytomegalovirus protease

Y. Li, Y. Yan, S. Munshi, D. Hall, L. Waxman, P. Darke, L. Kuo and Z. Chen

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Structural analysis of rapamycin's role in binding FKBP12 and FRAP

J. Clardy, J. Choi, J. Chen and S. I. Schreiber

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The relevance of the crystal structure of human endothelin to G-protein coupled receptor binding

B. A. Wallace and R. W. Janes

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Constrained linear opioid peptides

J. R. Deschamps, C. George, C. Moore, R. Cudney and J. L. Flippen-Anderson

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Conformational changes of small molecules binding to proteins – comparison of CSD and PDB structures

M. C. Nicklaus, S. Wang, J. S. Driscoll and G. W. A. Milne

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Inhibitors of glycogen phosphorylase: in search of an antidiabetic drug

K. A. Watson, M. Gregoriou and L. N. Johnson

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RELIBase – an object-oriented comprehensive receptor–ligand database

M. Hendlich, F. Rippmann, G. Barnickel, K. Hemm and K. Aberer

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A model for the dopamine D₄ pharmacophore

C. G. Chidester, R. E. TenBrink, J. A. Leiby, M. W. Smith, A. G. Romero, M. D. Ennis, N. B. Ghazal, S. K. Schlachter, C. L. Bergh, T. J. Poel and R. M. Huff

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Crystal structure of tolterodine

B. Sellberg, I. Engstrom and L.-E. Tergenius

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Hydrogen-bond interactions and their influence on conformation of retinoidal-active and -inactive aromatic anilides

Q. Gao, K.-L. Yu, S. Chen, J. Ostrowski, J. E. Starret Jr, K. M. Tramposch, P. R. Reczek, M. M. Mansuri, K. J. Volk and M. S. Lee

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Absolute configuration of the potent antimalarial agent halofantrine

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Structural and conformational studies on taxoids

M. Milanesio, G. Appendino, P. Ugliengo and D. Viterbo

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The effect of solvent and conformational changes on the electron density and electrostatic potential of tamoxifen [p-(dimethylamino-2-ethoxy)phenyl]-1-trans-diphenyl-1,2-butene-1

D. A. Buzatu and E. D. Stevens

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Free radical cation tetracupro salts of antihistamines

M. Parvez and A. P. Sabir

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Conformational analysis of five novel smooth muscle relaxant agents

Q.-C. Yang, H.-M. Li, Y.-Q. Tang and W. Huang

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Structure–antiviral activity correlation of conformationally restricted nucleoside analogs

G. V. Gurskaya, V. E. Zavodnik and A. A. Krayevsky

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Structure of three bioactive furanic biderivatives

J. Duque Rodríguez, R. Pomés Hernández, H. Novoa de Armas and R. Alfredo Toscano

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X-ray and molecular modelling studies of new potential aldose reductase inhibitors

D. Tranqui, M. Cussac, P. Fresneau, G. Leclerc and A. Vegas

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Diproline β-turn mimics: substitution effects on allowed conformations

W. H. Ojala, P. W. Baures, R. L. Johnson and W. B. Gleason

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Biphalin, a highly potent dimeric enkephalin analog

J. L. Flippen-Anderson, J. Deschamps, C. George, V. J. Hruby, G. Li, A. W. Lipkowski and A. Misicka

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Imidazole and tetrazole as ligands for calcium and magnesium

D. S. Eggleston, R. C. Haltiwanger, D. Sherman and L. Garber

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Sulfamate anticonvulsants: structure and function

P. W. Codding, S. A. Litster, M. Kubicki, M. B. Szkaradzinska and H. A. R. Bassyouini

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Coordination of lithium to amino acids and dipeptides

G.-M. Maier, G. Müller and M. Lutz

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L-Valyl-L-glutamine and L-glutamyl-L-valine

C. H. Gorbitz and P. H. Backe

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Structure and conformation of sequentially related peptides: crystal structure of L-phenylalanylglycylglycine (FGG)

T. Srikrishnan and S. Hoffman

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Structural features of stereoisomeric analogs of cyclotetradepsipeptide [–(MeVal-Hyi)₂–]

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Crystal structures of peptides designed to mimic protein secondary structural elements

K. R. Rajashankar, S. Ramakumar and V. S. Chauhan

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Conformation of cyclosporin in different crystal forms

M. Husák, J. Ondrácek and A. Jegorov

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Centrosymmetric crystals of a designed alpha-helical peptide

W. R. Patterson and D. Eisenberg

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The 1.2 Å structure of G1, an α-conotoxin peptide

L. W. Guddat, L. Shan, J. L. Martin, A. B. Edmundson and W. R. Gray

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Folding and aggregation of heterodimers of gramicidin

W. L. Duax, B. Burkhart, D. Langs and W. Pangborn

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Conformational analysis of (S)-6-methoxy-2-(dipropylamino)-tetralin

M. Brisander, I. Csöregh, J. M. Jansen, A. M. Johansson and U. Hacksell

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Structure–activity relationship investigations of 4-anilinopiperidines

H. A. Karapetyan and V. K. Jingozian

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Crystal structures of vancomycin-related glycopeptide antibiotics

M. Schaefer, T. R. Schneider and G. M. Sheldrick

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The crystal and molecular structure of chalcomycin

J. R. Rubin and P. W. K. Woo

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Structure–activity relationships and crystal structures of some interesting oxazolidinones

W. Watt, F. Han, J. H. VanDrie and L. M. Thomasco

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Structure of 17-β-estradiol benzoate and its interaction with TAF-2 domain of estrogen receptor (ER) by modeling

V. Bolaños-García, G. Juárez-Martínez, E. Rudiño-Piñera, K. Panneerselvam and M. Soriano-García

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An interesting steroid dimer with an extremely long cell axis: tetragonal, P4₁2₁2, a = b = 9.17 Å, c = 85.90 Å, V = 7225.06 Å³

F. Han and R. G. Williams

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Monoclinic form of vitamin D₂

I. Leban, R. A. G. de Graaff, R. de Gelder, J. Turkenburg, K. S. Wilson and Z. Dauter

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A study of mono- and bislactone ring formation of deoxycholic acid and its nor and homo derivatives

S. Stankovic, D. Lazar, K. Kuhajda and D. Miljkovic

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Arnifolin and related natural products

Y.-H. Liu, F. R. Fronczek and T. J. Schmidt

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Conformational study on some oleanane and migrated oleanane triterpenoids

T. Kiyotani, Y. Arai and H. Ageta

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Crystal structure of the tannin geraniin based on conventional X-ray and on synchrotron data

P. Luger, M. Weber, S. Kashino, Y. Amakura, T. Yoshida, T. Okuda, G. Beurskens and Z. Dauter

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X-ray investigation of fungicide activity of oxiran-containing triazolyl-alkanes

S. Malinovskii and M. Krimer

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Conformational consideration of natural sesquiterpenes germacrane type

B. Tashkhodjaev and M. K. Makhmudov

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Structural effects of conjugation in three cyclic quinasoline-type alkaloids

K. K. Turgunov, B. Tashkhodjaev, L. V. Molchanov and K. N. Aripov

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The electrostatic potential for spermine phosphate hexahydrate

A. E. Cohen, J. R. Ruble and B. M. Craven

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Dimorphism of the alkaloid colchicine hydrate

L. Yu. Izotova, K. M. Beketov, B. T. Ibragimov and M. K. Yusupov

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Crystal and molecular packing of six Ryania alkaloids: the predominance of a multi-dimensional hydrogen-bond network

M. Drouin, M. Dodier and L. Ruest

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Structure and conformation of some sulfone derivatives

Y. S. Chen, S. Narasinga Rao, E. J. Holt, K. V. Narayana Raju and M. Krishnaiah

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Structural systematics of myo-inositol derivatives

C. H. Schwalbe and I. D. Spiers

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Synthesis and characterization of copper, nickel, cobalt 2-formyluracil thiosemicarbazone complexes

G. Pelosi, M. Belicchi Ferrari, G. Gasparri Fava, P. Tarasconi and R. Rossi

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Crystal structures of azolopyridazines

A. Katrusiak, S. Baloniak and A. Katrusiak

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Crystal structure of a β-carboline derivative – medicinally active compound

L. Govindasamy, D. Velmurugan, K. Ravikumar and A. K. Mohanakrishnan

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Crystal structures of some acridine diones – laser active compounds

K. Gunasekaran, V. K. Ganesh, D. Velmurugan, S. Ramasubbu, K. Pannerselvam, M. Soriano-Garcia and V. T. Ramakrishnan

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Crystal structure of trans-[1,5-benzothiazepine-4(5H)-one-1-oxide-2,3-dihydro-3-hydroxy-2(4-methoxyphenyl)](+)

P. Kumaradhas and K. A. Nirmala

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Structure of N′-[bis(methylthio)methylene]cyano-acetahydrazide

A. Gómez González, R. Pomés Hernández, A. Rosado Pérez, B. M. Nápoles Frías and R. Alfredo Toscano

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The role of intermolecular interactions in the crystallisation of racemates

S. Larsen and K. Marthi

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Hydrogen-bond patterns

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Hydrogen-bonded scaffolding for crystal engineering

C. B. Aakeröy and M. Nieuwenhuyzen

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Self-assembly through hydrogen bonding. Crystal structures of pseudo-spherical capsules

L. M. Toledo, C. Valdés, U. Spitz and J. Rebek Jr

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Hydrogen bonding in metal complexes: empirical and computational comparisons with organic analogues

A. G. Orpen and D. Bellamy

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Self-assembly via hydrogen bonding and metallation reactions

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Intramolecular hydrogen bonding in some azoenaminones

B. Lages Rodrigues and M. T. do Prada Gambardella

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Aromatic–aromatic and C—H⋯O interactions in the crystal structures of O-substituted myo-inositols

U. Samanta, D. Pal, V. G. Puranik, P. Chakrabarti, T. Das, T. Praveen and M. S. Shashidhar

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A conformation-determining intermolecular C—H⋯O hydrogen bond: structure of N-methyl-2-pyrrolidone (NMP)

G. Müller, M. Lutz and S. Harder

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The crystal structures of condensation products of aminoguanidine nitrate with acetylacetone

F. F. Mirjalalov, A. B. Khudayarov and Kh. T. Sharipov

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Structure of 5-(4′-N,N-dimethyl)benzylidene-2-phenoloxazole-4-one, C₁₈H₁₆N₂O₂

S. Karmakar and A. N. Talukdar

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Crystal structures of a solvated and unsolvated sulfone cyclic oligomer

P. J. Cahill, L. N. Venkateshwaran and J. A. Kaduk

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Structure of 1-[5′-(N,N-diethyl)-2′-furylcarbamoyl]-2,2,2-trichloroethanol

O. D. Carbonell, E. M. Roque Infante, R. Alba Hernandez, O. Au-Alvarez, R. Pomes Hernandez, A. Dago and F. Fajardo

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Molecular and electronic structure of 1,2,5-thiadiazole 1,1-dioxide derivatives

E. E. Castellano, O. E. Piro, J. A. Caram, M. V. Mirífico, S. L. Aimone, E. J. Vasini and M. D. Glossman

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Hexa-N-pyrrolebenzene, tetra-N-pyrroleethylene and related compounds

F. R. Fronczek, A. Dávila, T. R. Nauman and M. L. McLaughlin

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Crystal structure of aromatic diacetylene derivatives and reactivity of solid-state polymerization

Y. Shibamoto, K. Yano, N. Kanehisa, Y. Yamamoto, S. Tagawa and Y. Kai

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Molecular and crystal structures of donor–acceptor substituted polyenes involving 1,3-indandione and dibenzocycloheptenedione moieties

V. Khodorkovsky and A. Ellern

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Structural studies of intermediates in a novel synthesis of aryloxypropiononitriles

J. Ellena, G. Punte, J. C. Autino, G. P. Romanelli and A. E. Goeta

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Crystal and molecular structure of 2,10-dichloro-6-trichloromethyldibenzo[d,g][1,3,6,2]dioxathiaphosphocin-6-oxide

N. Jagadeesh Kumar, T. V. Narasaiah and M. Krishnaiah

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Crystal structure of 3-[2-(4-chlorophenyl)sulfonylethenyl]-6-methoxy-4H-1-benzopyran-4-one

K. V. Narayana Raju, M. Krishnaiah, S. N. Rao, I. L. Lu and Y. S. Chen

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Structural studies of some binaphthyl derivatives

N. Thorup, H.-J. Deussen, T. Bjørnholm, K. Bechgaard and T. Geisler

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Structure and conformation of two new diazabicyclo[5.3.0]decan-2-ones

D. Kumaran, M. N. Ponnuswamy, G. Shanmugam, K. Sivakumar and H.-K. Fun

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Structures of the symmetric calix[4]arenes

Y. J. Park, K. No and J. M. Shin

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The X-ray analysis of an enaminone with a bulky substituent

M. J. Diánez, M. D. Estrada, A. López-Castro and S. Pérez-Garrido

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The folded conformation – the result of π–π interactions?

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Structure of five guanidine derivatives and a study on binding of these molecules with calf thymus DNA

K. Subramanian, S. Lakshmanan, G. Koellner and T. Steiner

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Structure of two quinolones and a study on the lasing efficiency of these compounds

S. Lakshmanan, K. Subramanian, G. Koellner and T. Steiner

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Cl aggregates in crystals of dichloronaphthalenes and chlorobenzene

I. Neretin and P. M. Zorky

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Pecularities of tetrasystem organic crystals. Structural class P−1, Z = 8(1,1,1,1)

A. E. Obodovskaya, A. N. Kolyshev and P. M. Zorky

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Packing modes analysis in 3,4,5-trimethoxy-N-(methoxy monosubstituted salicylidene)anilines

J. Estienne and C. Kodjo

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Steric and electronic effects on conformations of N-acylindigo and N,N′-diacylindigo dye molecules

K. J. Haller and B. D. Smith

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Structures of two 6-substituted [(I) cyclohexyl and (II) 4-chlorophenoxy]-2,10-dichloro-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-oxides – conformation of an eight-membered heterocyclic ring

M. Krishnaiah and C. Devendranath Reddy

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Crystal structure of 4,4′-dichloro-2,2′-iminodibenzoic acid

R. Pomés Hernández, H. Novoa de Armas, J. Duque Rodríguez and R. Alfredo Toscano

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A comparative structural analysis of oxalic acid and its salts M_x(C₂O₄)_y·nH₂O (n = 0–3)

D. Yu. Naumov, N. V. Podberezskaya and A. V. Virovets

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Crystal structure and polymorphies of the 4-methoxy-4′-nitrodiphenylacetylene (MONA)

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Morphology and growth of NMDA in different solvents

L. Wang and C. Wang

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A study of the electrostatic potential in 8-hydroxy-4-methoxy-1-naphthaldehyde benzoate

C. J. Crasto, E. D. Stevens and P. Politzer

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Crystal structure of a long-chain compound, 1,13-tridecanediol

N. Nakamura, Y. Tamihara and T. Takayama

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Structural studies on phospholipid bilayers

M. Suwalsky, F. Villena, B. Ungerer and C. P. Sotomayor

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Hydrogen bonding and lattice voids in the structure of a novel tetracyclic fused ring molecule

P. D. Boyle, Y. S. Lee and D. L. Comins

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Structural study of indolizine derivatives

O. Au-Alvarez, V. A. Tafeenko and L. A. Aslanov

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The structure of the new cycloalkyl- and alkyl-substituted calix[n]arenes

S. A. Talipov, A. M. Iuldashev, Kh. L. Gapparov, M. A. Ishmukhamedov and B. T. Ibragimov

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1,3-Dimethoxy-2,4-didehydroxy-p-tert-butylcalix[4]arene

G. J. van Hummel, P. J. A. Kenis, Y. Ting and S. Harkema

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Aliphatic chains in calixarene derivatives

E. F. Paulus, V. Böhmer, R. Arnecke, R. A. Jakobi and W. Wasikiewicz

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A novel supramolecular assembly: switchable encapsulation of a guest molecule between two bowl-shaped molecules

G. Olovsson, R. G. Chapman, J. C. Sherman and J. Trotter

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Crystal engineering: honeycomb networks, molecular laminates and supramolecular boxes

C. V. Krishnamohan Sharma and M. J. Zaworotko

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On supramolecular architecture water molecules form in hydrophobic hydrates

J. Lipkowski, K. Udachin, J. Narbutt and P. Staszewski

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Molecular tectonics. Three-dimensional organic networks with inorganic properties, an update

M. Simard and J. D. Wuest

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Molecular conformation and supramolecular structure of carbosilane, precursor of liquid crystalline phase

K. Yu. Suponitskii, T. V. Timofeeva, K. A. Lyssenko and N. N. Makarova

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X-ray and neutron diffraction study of a crown ether – a cautionary tale

R. H. Fenn, S. A. Mason, R. A. Palmer, B. Potter, O. S. Mills, P. M. Robinson and C. I. F. Watt

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C—Cl⋯π(Ar) interactions

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Substituent effects on the hydrogen bonds in alcohol·amine cocrystals

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Macrocycles for radionuclide capture

A. Sobolev, Z. Asfari, V. Böhmer, J. Harrowfield and J. Vicens

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Supramolecular design and synthesis. The control of symmetry and intermolecular spacing

J. W. Lauher, F. W. Fowler, B. Dinkelmeyer, J. Kane, R.-F. Liao, E. Matwey, T. Nguyen, C. Schauer and L. Toledo

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Non-covalent synthesis of host–guest assemblies through molecular recognition

V. R. Pedireddi and W. Jones

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New classes of molecules for designing structures in the organic solid state

J. C. MacDonald, K. E. Schwiebert, G. Tayhas, R. Palmore, J. A. Zerkowski, S. Palacin and G. M. Whitesides

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An adaptable host for organic guests and their reactions

E. F. Maverick, C. B. Knobler and D. J. Cram

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Structure and decomposition kinetics of inclusion compounds of a diol host

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Separation of close isomers by enclathration

A. Horne, M. R. Caira, L. R. Nassimbeni, K. Okuda and F. Toda

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Selective inclusion of ketone by a sexipedal host

K. L. Gifford Nash, S. A. Bourne and F. Toda

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What makes clathrates stable?

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The structural aspects of durene–thiourea inclusion complex

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Inclusion-induced resolution of a bis-bibenzimidazole derivative by achiral acids

P. Bombicz and M. Czugler

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Polymorphism of the gossypol inclusion complexes

B. T. Ibragimov, Z. G. Tiljakov, S. A. Talipov and K. M. Beketov

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Photodimerization reaction of coumarin in complex crystals with chiral host derived from tartaric acid

I. Miyahara, Y. Nakajima, K. Hirotsu, K. Tanaka and F. Toda

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Molecular arrangements of alkyl-ammonium salts and aromatic additives in complex crystals

K. Noguchi, K. Vongbupnimit, S. Kamitori and K. Okuyama

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Novel hydrogen-bonded host lattices in inclusion compounds of urea and peralkylated ammonium pentaborate salts

T. C. W. Mak and Q. Li

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Structure of macrocycle containing azo and azoxy units and their complexes

Yu. A. Simonov, J. Biernat and E. Luboch

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Monoclinic thiourea inclusion complexes: implications of the durene adduct crystal structure

J. S. Rutherford, E. Marfo-Owusu, P. S. Ford and J. A. K. Howard

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Highly organized multilamellar structures formed by polyelectrolyte network–surfactant complexes

Yu. Khandurina, V. Rogacheva and A. Zezin

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The crystal chemistry of alkaloids, nature's exotic molecules

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Unusual products in the photo-chemical reactions of dibenzobarrelenes

J. Trotter and J. R. Scheffer

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Cubanes: intra- and supramolecular trends

R. Gilardi, P. E. Eaton and R. J. Butcher

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Hydrogen-bond pattern functionality and graph sets

J. Bernstein and R. E. Davis

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Intermolecular interactions in chiral-at-metal complexes – chirality changes at the crystallization process

FJ. Lahoz and R. Atencio

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The scope and the limits of VSEPR theory as mirrored by the stereochemistry of Xe^VI

A. Ellern and K. Seppelt

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Structure and reactivity of host–guest inclusion compounds

A. Coetzee, M. R. Caira, L. R. Nassimbeni, E. Weber and A. Wierig

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Sequential multi-photon photochemistry structure of a highly strained 10-oxapentacycloundecene derivative

J. A. Krause Bauer, K. A. Schnapp and R. M. Wilson

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Neutral homoaromaticity: almost but not quite

D. van der Helm, M. Bilayet Hossain, R. V. Williams, V. R. Gadgil, K. Chauhan, L. M. Jackman and E. Fernandes

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Conformational analysis of alditols: 1,2- and 1,3-parallel interactions in tri-O-isopropylidene derivatives

J. Kopf and P. Köell

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Hydrogen bonds in organometallic chemistry: direct and indirect participation of transition metal centers

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Electron-deformation density investigations on organometallic compounds: success and pitfalls

C. Krüger, K. Angermund, J. Bruckmann, F. Lutz and C. Kopiske

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Molecular mechanics for organometallic molecules: prediction and explanation

T. V. Timofeeva and N. L. Allinger

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Structures of sodium complexes of citraconic acid

G. Díaz de Delgado, T. González and A. Briceño

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Mineralomimetic crystal structures of CN-linked cadmium complexes

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Revolutionary advances in crystallographic analyses of high-nuclearity transition metal clusters: from point-detector to CCD area-detector systems

L. F. Dahl, M Kawano, J. W. Bacon, J. M. Bemis, P. D. Mlynek, N. T. Tran and C. F. Campana

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Effect of ascorbic acid as reducing agent in the preparation of 1:1 chloro(L)Cu^I complexes (L: pyridine, quinoline, acridine)

A. Alemi and S. Shirinevare

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Rhenium(V)–oxo complexes with imidazoles: prime candidates for disorder, superstructure and counterion substitution

S. Bélanger and A. L. Beauchamp

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Structural investigations of bimetallic Sb³⁺ ethoxides and a comparison to related structures

U. Bemm and R. Norrestam

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Crystal structure of trans-diisothiocyanato(5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene)cobalt(II) thiocyanate

B. H. Chen, T. H. Lu, W. T. Huang, H. H. Yao, J. M. Lo and C. S. Chung

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To bend or not to bend – structural studies of oxo-bridged binuclear titanium complexes

M. Y. Chiang, B. M. Chen and H.-W. Feng

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Structural systematics of transition metal triphosphorus macrocycles

S. J. Coles and M. B. Hursthouse

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Manganese(II) N,N′-dipyridoxylethylene diamine-N,N′-diacetate 5,5′-bis(phosphate), MnDPDP

B. Fjartoft-Pedersen, L. Ehnebom Tonnesen, J. Klaveness, B. Tirkkonen and T. Aase

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The crystal structures of potassium xanthates

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Synthesis and crystal structures of novel nickelaoxocyclobutanes

H. Görls, M. Weidmann and E. Dinjus

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Structural investigations of phthalo- and naphthalocyanine precursors and their cyclomerization products

J. Janczak and R. Kubiak

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Synthesis and structure of Ag–TMTMS complex (Ag–tetramethylthiurammoniosulfide)

M. Kawaminami, C. S. Mendoza and S. Kamata

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Synthesis and structure of isocyanide complexes of chromium in different oxidation states

G. Kociok-Köhn, D. Wössner and A. C. Filippou

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The new thermostability criterion of industrial phlogopite crystals

G. I. Kosmacheva, V. M. Kalikhman, G. A. Kuznetsova and M. S. Metsik

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Amino(thio)- and diaminocarbene complexes of gold(I) and (III)

G. J. Kruger, H. G. Raubenheimer, P. J. Olivier and M. Desmet

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Structure investigations of ruthenium–manganese polypyridyl complexes

K. Lashgari, T. Norrby, R. Norrestam and B. Åkemark

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Structural diversity in chloromercury(II) salts

A. Linden, B. D. James, J. Liesegang and N. Gonis

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Structural chemistry of multiply butylated cyclopentadiene transition metal complexes

L.-K. Liu and L.-S. Luh

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Crystal structures of two Cu^II complexes with tetradentate Schiff base ligands

T. H. Lu, B. H. Chen, W. T. Huang, H. H. Yao and J. M. Lo

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The structure of aryl- and thienylgermatranes

E. Lukevics, S. Belyakov, A. Kemme and L. Ignatovich

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Zirconium and hafnium mixed-ligand complexes with ethylenediaminetetraacetate, fluorine and carbonate ions

V. E. Mistrioukov, Y. N. Mikhailov, E. B. Chuklanova and A. V. Sergeev

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Diorganotin complexes of β-diketonate ligands

E. Mundorff, F. Caruso, A. Cingolani, F. Marchetti, C. Pettinari and M. Rossi

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Isostructural complexes exhibiting different thermochromic phase transitions

B. Narayanan and M. M. Bhadbhade

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Crystal structure and guest motional behavior of Cd(CN)₂ cyclohexane clathrate. X-ray diffraction and solid-state NMR study

S. Nishikiori, T. Kitazawa, C. I. Ratcliffe, J. A. Ripmeester and T. Iwamoto

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A proposed 'noise' level for the discrimination between intra- and intermolecular geometric effects in Pt^II complexes

Å. Oskarsson, K. Lövqvist and L.-I. Elding

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X-ray crystallographic, NMR and kinetic correlation of selected Pt^II complexes

S. Otto and A. Roodt

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Structures of rhenium complexes: how crystallography can be an essential, but sometimes misleading, tool

C. Pearson and A. L. Beauchamp

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Structure of antimony(III) 8-selenol-, 8-mercapto- and 8-oxyquinolinate

L. Pech, Yu. Bankovsky, V. Belsky, A. Stash and J. Ashaks

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Structural and spectroscopic studies in the [M(C₆H₆N₃S₂)₂] [M = Cu^II, Ni^II] compounds

J. L. Pizarro, J. GarcíaTojal, L. Lezama and M. I. Arriortua

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A long C—C bond in a troublesome structure

D. R. Powell, O. Xiang, H. Zhao and K. R. Dunbar

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Structures of [trans-M(H)(H₂)(dppe)₂]⁺, M = Fe, Ru, Os, by single-crystal neutron diffraction

J. Ricci, A. Albinati, J. Fortin, W. Klooster, T. Koetzle, P. Maltby, R. Morris and A. Petroff

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A packing of monomeric and dimeric Rh^III complexes in the crystal structures of [Rh(H₂O)₆]F₃·4H₂O and [N(CH₃)₄][Rh₂Cl₉]

G. V. Romanenko and N. V. Podberezskaya

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[Rh(LL)(CO)(PPh₃)] complexes as models for catalytic processes: X-ray versus ¹³P/¹³C NMR versus iodomethane oxidative addition reactivity correlations

A. Roodt, G. J. J. Steyn, L. Damoense, J. A. Venter, S. S. Basson, W. Purcell, Y. S. Varshavsky, M. R. Galding, T. G. Cherkasova and L. V. Osetrova

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Orientational disorder in the X-ray crystal structure of trans-[W(CO)₂{S(C₄H₉)}₂(C₇H₈)]

G. M. Rosair, J. L. Davidson and B. J. Thiebaut

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Structure of a lead complex used in food analysis

M. Rossi, M.-L. Chan and F. Caruso

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Nucleic acid–Hg^II ion interactions. Structure of Hg^II complexes with 1,3-dimethyl-uracil

M. Sabat, B. Lippert, F. Zamora and R. D. S. Dixon

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Boron coordination compounds with hydroxycarboxylic acids

J. Schwartz and I. Zviedre

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Crystallographic studies of dimethyl sulfoxide complexes of rare earth(III) nitrates

L. I. Semenova, B. W. Skelton and A. H. White

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Structure of cobalt 8-oxyquinolinate, 8-mercapto- and 2-methyl-8-mercaptoquinolinate

E. Silina, Yu. Bankovsky, V. Belsky, A. Stash, J. Ashaks and L. Pech

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Dimethylsulfoxide solvates of bismuth(III) iodide

B. W. Skelton, P. C. Junk and A. H. White

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Enantiomeric disorder of amino acid moiety in structures of [Co(III)(en)₂(aa)]I₂, aa = DL-alanine, DL-valine

E. Suresh and M. M. Bhadbhade

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Crystal structures of uranyl/calixarene complexes

P. Thuery and M. Nierlich

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On the heavy-atom quantum interference scattering phenomena in dimolybdenum(II) dimers

B. Udovic and P. Segedin

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Comparison of structures of six alkarylstannyl or alkylstannyl dithiophosphates

Y. Xinkan, W. Honggen, X. Qinglan, L. Ning and Y. Zhiqiang

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Structure of a new hydrido(methoxo)iridium(III) complex related to catalytic reduction of alkynes

T. Yamagata and K. Tani

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Structure of twinned [Fe(heed3a)H₂O]

G. Zahn, M. Boddin, R. Meier and P. Paufler

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The neutral multiligand and cation complexes with boron: C₁₃H₁₁O₄B, C₃₀H₂₂O₄BClO₄

I. Zviedre, J. Schwartz and V. Belsky

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Metal-ion compounds of 2,2,4,10,10,12-hexamethyl-1,5,9,13-tetraazacyclohexane (L)

O. Gladkikh, N. F. Curtis, G. A. Gainsford and D. A. Rae

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Crystal structure of the polymeric thiocyanate complexes of copper(I)

V. N. Kokozay, O. A. Babich and V. A. Pavlenko

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Structure of cis-diaquabis(2,2′-bipyrimidine)cobalt(II) diperchlorate monohydrate

J. S. Brunzelle, Y. Wang, A. Fitch and S. F. Pavkovic

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Hydrogen bonds in crystal structures of two cobalt(II) complexes with nitroxide

A. B. Burdukov and N. V. Pervukhina

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Conformations of diphosphites: crystallography and molecular modelling studies

D. D. Ellis and A. G. Orpen

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X-ray diffraction analysis of geometry changes on excitation: the ground-state and excited-state structures of K₂[Ru(NO₂)₄(NO)(OH)]

D. V. Fomitchev and P. Coppens

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Structural peculiarities of mixed-ligand Zn^II dialkyldithiocarbamate complexes with nitrogen-containing heterocycles

L. A. Glinskaya, R. F. Klevtsova, S. M. Zemskova and S. V. Larionov

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Structural features of metallocyclophanes containing two, three and four octahedral metal centres

T. A. Hamor, H. Chen, F. S. McQuillan, T. E. Berridge, H. A. Hinton and C. J. Jones

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The structure of coordination compound of Cu^II with aminoguanydine sulfate

A. B. Khudayarov, F. F. Mirjalolov and Kh. T. Sharipov

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Syntheses of [IrCl₆]²⁻{[HP-ⁱPr₃]⁺}₂, 1, and [Ir₂Cl₈(P-ⁱPr₃)]²⁻{[HP-ⁱPr₃]⁺}₂, 2, two possible starting materials for the direct synthesis of Ir^V(H)₂(Cl)₃(P-ⁱPr₃)₂, 3. Crystal structures of 1, 2 and 3

P. Mura, M. Allevi and A. Ettorre

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Crystal structure of nickel(II) and cobalt(II) adducts with 3-imidazoline nitroxide

N. V. Pervukhina, A. B. Burdukov and V. I. Ovcharenko

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'Closest packings' law in crystal structures of new Rh^III complexes

N. V. Podberezskaya and G. V. Romanenko

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Bulk helicoids in crystal structures of rare earth and sodium tetrakispivaloyltrifluoroacetonates, NaLn(PTA)₄

T. M. Polyanskaya, G. V. Romanenko and N. V. Podberezskaya

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Bonding in metal–alkyne complexes: crystallographic studies of redox pairs

M. J. Quayle and A. G. Orpen

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The structure and molecular structure of copper L-tartrate, CuC₄H₄O₆·3H₂O

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The crystal and molecular structure of gadolinium 3,5-dinitrobenzoate trihydrate

D. Ülkü, M. N. Tahir and C. Ünaleroglu

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Molecular modelling of dimetal systems

J. Bacsa and J. C. A. Boeyens

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Low-temperature neutron and X-ray diffraction studies of Mn(cth)Cu(oxpn)(CF₃SO₃)₂ [cth = (±)-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane; oxpn = N,N′-bis(3-aminopropyl)oxamide]

V. Baron, H. Rundlöf, R. Tellgren, B. Gillon and O. Kahn

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Structures of three novel dinuclear complexes of Eu^III, Pr^III and Nd^III with bridging alaninehydroxamic acid

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Crystal structures of organometallic aluminium aminoalkoxides

T. Gelbrich, J. Sieler, E. Hecht and U. Dümichen

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Two binuclear manganese(III) complexes containing a bridging ketonic oxygen atom

S.-X. Liu and Y.-L. Feng

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Stabilisation of molybdenum thiolate complexes by bridging nitrogen ligands

L. Manojlovic-Muir, K. W. Muir, P. Scholhammer and F. Y. Petillon

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Crystal structures and disorder in two heterobimetallic polysulfido complexes

A. K. Mukherjee and M. Mukherjee

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Linear oligonuclear metal–metal multiple bonds

S.-M. Peng, S.-J. Shieh, C.-C. Lin, J.-T. Sheu, C.-C. Chou and G.-H. Lee

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Chloromercurates of two aminecarboxylate cobalt(III) complexes

K. D. Robinson, I. F. Burshtein and A. L. Poznyak

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Bi- and trinuclear carbonylruthenium clusters: a crystallographic and electronic comparative study

J. F. Van der Maelen Uría, D. Ardura, S. García-Granda and J. A. Cabeza

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New copper(II) lead(II) heterotetranuclear complex: direct synthesis and structure

O. Yu. Vassilyeva and L. A. Kovbasyuk

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Polymorphs of [Au(dppm)Cl]₂

J.-C. Wang, L.-S. Liou and S.-J. Chen

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Low-temperature studies of mixed-valence dinuclear Mn compounds

C. Wilson, F. K. Larsen and B. N. Figgis

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Crystal structure and EPR data of a dinuclear Cu^II complex, [Cu(N₃)(NCO)diEten]₂

J. Zukerman-Schpector, O. E. Piro, E. E. Castellano, C. A. De Simone, D. M. Martino and C. A. Steren

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Crystal structure of 6,9-bis(4-stilbazole)-nido-decaborane(12), 6,9-[4-(PhC₂H₂)Py]₂B₁₀H₁₂

V. I. Alekseev, T. M. Polyanskaya, S. T. Dunaev and E. A. Il'inchik

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Incomplete cubanes M₃X₄⁴⁺

A. Hazell, M. Brorson, C. Jacobsen, B. Jesperson and I. Schmidt

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Synthesis and structure of di-μ-acetato-bis[dicarbonylpyrazoleruthenium(I)](Ru—Ru)

C. H. Huang, T. H. Lu, W. M. Lee and K. B. Shiu

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Structure and conformation of metal cluster complexes from triphenylphosphine ruthenium carbonyl carboxylates

S. Ianelli, M. Nardelli, M. Bianchi, P. Frediani, A. Salvini, C. Faggi, S. Papaleo and F. Piacenti

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Study on structures of d¹⁰ metal polynuclear complexes

X. Jin, K. Tang and Y. Tang

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Crystal structure of novel mixed-metal cluster complex OsPt₂(I)₂(CO)(PPh₃)₃(CO)₂·0.5C₆H₁₄

V. P. Kirin, A. V. Virovets, V. I. Alekseev, N. V. Podberezskaya and V. A. Maksakov

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Structural flexibility of [M₃(μ₃-L)(μ-dppm)₃]ⁿ⁺ twin-bowl clusters

K. W. Muir, L. Manojlovic-Muir and M. W. Hughes

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Structural characterization of (CO)₆Fe₂{μ-SC(PH)=C(H)Se} and (CO)₆Fe₂{μ-SC(H)=C(Ph)Te}

S. Narasinga Rao, Y. S. Chen, E. J. Holt, M. Soriano, S. Umbarkar and P. Mathur

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The investigation of cluster decay in complicated metal melts: Ni–Cr–Mo–W–Nb–C

I. I. Panchenko and N. M. Kochegura

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Highly disordered cluster compound Ti₄O₄(Me₂PhO)₄[(CO)₉Co₃CCO₂]₄

M. Shang, X. Lei and T. P. Fehlner

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Unexpected chirality in the novel mixed-metal cluster compounds M₂Fe(μ₃-X)(CO)₇(η⁵-C₅H₅)₂ (M = Mo, W; X = Se, Te)

A. V. Virovets, S. N. Konchenko, N. V. Podberezskaya and S. V. Tkachev

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The chemistry of palladium–osmium mixed-metal carbonyl clusters

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Molecular design for novel sulfur-coordinated transition metal clusters

X.-T. Wu, Q. Huang, Q.-M. Wang, T.-L. Sheng and J.-X. Lu

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Novel lanthanide pyrazolyl borate complexes with fast data acquisition at low temperature

M. R. J. Elsegood, A. Sella, G. H. Maunder and S.-Y. Liu

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Structures of novel metal–carbene complexes derived from hypervalent diazadiselenathiapentalenes

F. Iwasaki, H. Nishiyama, N. Manabe, M. Yasui and N. Matsumura

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Topochemical and heat-physical properties of MoO₂(C₆H₅CONHO)₂ complex and its crystallosolvates

L. K. Kim, Kh. T. Sharipov and V. P. Bruskov

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Crystal structure of a new hydrolysis complex in the aqueous aluminium system

M. Karlsson, D. Bostrom, L.-O. Ohman and T. Gustafsson

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Syntheses and structures of [Pb₃Cl₁₀]⁴⁻ and [PbBr₃]⁻

H. Miyamae, K. Nagae and G. Hihara

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Correlations between individual bond-valence parameters r₀ and stereochemistry of cations with lone-pair electrons

X. Wang and F. Liebau

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Solid-state conversion in single crystals of a coordination compound

U. Englert, B. Ganter, T. Wagner and W. Kläui

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Structure change due to the charge disproportionation in CaFeO₃ with Fe⁴⁺

S. Morimoto, T. Yamanaka and M. Tanaka

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Crystal structure of 4H BaRuO₃: high-pressure phase prepared at ambient pressure

S.-T. Hong and A. W. Sleight

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Negative thermal expansion from 0.3 to 1050 K in zirconium tungstate, ZrW₂O₈

J. S. O. Evans, T. A. Mary and A. W. Sleight

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The elasto-optic effect in polycrystalline aggregates

A. Kh. Zilbershtein

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Heterometallic carbonyl clusters of Os, Ir, Ru, Fe and Rh with divalent Sn, Pb and Ge and the bulky ligands –CH(SiMe₃)₂, –C₆H₂(ⁱPr)₃ and –C₆H₂(Ph)₃

C. J. Cardin, D. J. Cardin and M. A. Convery

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Ni^II complexes: magnetism can lead to wrong assignment of tetracoordinated geometry

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Suppression of the Jahn–Teller effect in chiral copper(II) and chromium(II) oxalate-bridged network structures

H. W. Schmalle, S. Decurtins, R. Pellaux and M. Graf

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Systematic crystal chemistry via critical nets on orbifolds

C. K. Johnson and M. N. Burnett

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A priori prediction of crystal structure

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Principles of structural formation for inorganic compounds with heavy atoms

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A procedure for the classification of nonorganic crystal structures

H. Burzlaff and Y. Malinovsky

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New measures of similarity for crystal structures

E. Makovicky and T. Balic-Zunic

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Modular features in the systematics of crystal structures

B. B. Zvyagin, S. Merlino and G. Ferraris

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Variable temperature analysis of compounds containing disordered perchlorate counterions

L. M. Cook and J. C. A. Boeyens

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Template network and site systematics of extra-framework atoms in the analcime-leucite structure type

V. V. Bakakin, Yu. V. Seryotkin, B. A. Fursenko and I. A. Belitsky

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Crystal chemistry of synthetic 1:3 silicate and germanate pyroxenes

M. Behruzi, E. Banerjea-Appel, F. D. Scherberich and Th. Hahn

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Inorganic structural chemistry with crystallographic databases

G. Bergerhoff and M. Berndt

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Studies on the temperature dependence of electroconductivity for crystals of phlogopite and fluorophlogopite

Y. V. Ezhova, F. A. Scherbachenko, V. A. Karnakov and N. A. Hlopenko

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Determination of space group and structure for synthetic svabite: Ca₅(AsO₄)₃F

P. Goodman, A. Schwartzman, B. Rodier, F. Lincoln and T. J. White

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Incommensurate phases of tridymite

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Structural determination of Sr₉Ni_6.64O₂₁, a new member of the family A_3n+3A′_nB_3+nO_9+6n (n = 2)

E. Gutiérrez-Puebla, A. Monge, C. Ruíz-Valero, I. Rasines and J. Campá

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Systematic enumeration of three-dimensional nets by combining three-connected two-dimensional nets with one-dimensional chains

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Modelling of the self-organization processes in silicate crystal-forming systems

G. D. Iljushin and L. N. Demianets

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Superstructures in the vanadium-containing bismuth oxides

S. Kashida, A. Kuwasawa and T. Saito

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Hydrogen-atom localization from comparison of diffraction and PMR spectroscopy data

V. Kavun, S. G. Kozlova and S. P. Gabuda

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Structural aspects of transition metal benzenedithiolato complexes

K. Krischbaum, A. Corbach, A. Feldmann, K. Laue, D. Pfeiffer and D. M. Giolando

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Hydrogen-atom localization in lawsonite using single-crystal PMR data

S. G. Kozlova, S. P. Gabuda, T. Armbruster and E. Libowitzky

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Structure and crystal chemistry of CaSi₂O₅ synthesized at 1500°C and 10 GPa: a new high-pressure calcium silicate with five-coordinated silicon

Y. Kudoh and M. Kanzaki

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On the crystal structure of apatite

A.-K. Larsson and A. Landa

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Preparation and strucural characterization of the PrBa₂Cu₄O₈ compound

T. J. Lee, C. H. Chou, J. C. Huang, C. H. Cheng, S. R. Sheen and M. K. Wu

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Hydrothermal synthesis and crystal structures of gallium and indium phosphates

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Syntheses and crystal structures of two novel galloarsenates: Cs₂Ga₃(AsO₄)₂(As₃O₁₀) and Cs(GaOH)₂H(AsO₄)₂

K.-J. Lin and K.-H. Lii

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Rietveld refinement of Na₂CaMg(PO₄)₂, NH₄Al₃(SO₄)₂(OH)₆

J. Maixner and H. Hejdová

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Quantitative relations among crystal structures zeolites of natrolite–edingtonite group

Y. Malinovsky, H. Burzlaff and W. Rothammel

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Structures of SrSiO₃ and SrGeO₃

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Characterization of UO₂²⁺ exchange Y-zeolite

M. T. Olguín, S. Bulbulian, J. Duque, R. Pomés, M. E. Villafuerte-Castrejón and P. Bosch

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Supramolecular oxometalate chemistry: octamolybdate as a building block

T. Ozeki, A. Kitamura and A. Yagasaki

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Crystal chemistry of mercurous inorganic compounds and minerals

N. A. Pal'chik, S. A. Magarill and L. M. Volkova

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H-polytype formation in Zn_1−xMg_xSe

W. Paszkowicz, Z. Spolnik, F. Firszt and H. Mêczyñska

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X-ray single-crystal diffraction investigation on Ni_1+xAl_1−x

P. Paufler, J. Faber and G. Zahn

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Chemical and structural variation in synthetic loveringite, (Ca,Ti³⁺,Ti⁴⁺,Mn)₂₂O₃₈

R. C. Peterson, I. E. Grey and L. Cranswick

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The importance of inorganic salt addition in disordering the structure of mechanically treated chromite

L. I. Razvorotneva, T. N. Grigorieva and T. N. Moroz

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Synthesis and X-ray identification of titanium phosphate compounds

M. L. C. Reis, C. C. Ribeiro and M. A. Barbosa

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Crystallographic studies of phosphorus cisplatin analogues with possible links to anticancer activity

M. D. Roden, K. B. Dillon and J. A. K. Howard

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Na₄Co₃(PO₄)₂P₂O₇, a new sodium cobalt phosphate containing a three-dimensional system of large intersecting tunnels

C. Ruiz-Valero, E. Gutierrez-Puebla, A. Monge, U. Amador, C. Parada and F. Sanz

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Low order truncation analysis of X-ray intensity data as a novel tool for accurate site refinement. Orthopyroxene as an example

H. Schlenz, H. Kroll, T. Lueder, A. Fischer, A. Kirfel and T. Vad

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Crystallographic studies of brookite (TiO₂) with synchrotron radiation

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NiAl₃: a structure type of its own?

P. Viklund, U. Häußermann and S. Lidin

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Crystal structure of CeNb₃O₉ and LaNb₃O₉ by X-ray powder diffraction

M. E. Villafuerte-Castrejón, L. Carrillo-Avilés, A. Ibarra-Palos, J. Duque and R. Pomés

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Hydrothermal synthesis and structural study of barium zinc arsenates

S.-L. Wang and F.-L. Liao

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Octahedral tilting distortions in the perovskite structure

P. M. Woodward and A. W. Sleight

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X-ray diffraction on (KCN)_x(KBr)_1−x mixed crystals

Y. Yoshimura, T. Tsuruta, T. Okazaki, N. Tsuda and H. Iwasaki

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The crystal structure of sodium and europium borate

A. M. Agayev and G. K. Abdullayev

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New one-dimensional channel structures in the reduced Li–Ti–O system

J. Akimoto, Y. Gotoh and Y. Oosawa

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Response to changes in T, P or chemistry: framework mechanics of aluminosilicates

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Chromyl compounds in the solid state in comparison to their gas phase structures

H. Borrmann and M. Wanitschek

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YbCu_4.5 – a giant structure determined by single-crystal X-ray diffraction and HRTEM

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The structure of copper(II) with 2-hydroxyethyl(propyl)imine-2-hydroxy-1-benzaldehyde

Yu. M. Chumakov, T. J. Malinowski, V. I. Tsapkov and N. M. Samus

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An investigation into the crystal structure and disorder of PbZrO₃

D. L. Corker and A. M. Glazer

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Contribution to the stereochemistry of monovalent thallium to oxygen atoms

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New alkali chalcogenostannates(IV) with isolated zintl anions

F. Fabian and K. O. Klepp

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Determination of hydrogen atoms on lamellar titanium phosphates from neutron powder diffraction data

S. Garcia-Granda, M. A. Salvadó, P. Pertierra, J. Rodríguez, J. R. García and M. T. Fernández-Díaz

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Evolution of defect structure of grossly nonstoichiometric Ca_1−xR_xF_2+x crystals (R³⁺ = La, Nd, Dy, Ho, Yb)

N. B. Grigorieva, L. P. Otroschenko, B. A. Maximov, B. P. Sobolev and V. I. Simonov

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The correct structure of the acid rhodo complex – a classical coordination compound

P. Harris, H. Birkedal and S. Larsen

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Solid-state emission: copper(I) halide complexes with phosphine ligands

E. M. Holt, P. B. Durand and G. Mains

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On structures of 4X·5X′·4Y·Y′·80H₂O and 4X·X′·2Y·Y′·46H₂O clathrate hydrates

E. A. Il'inchik and T. M. Polyanskaya

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Crystal structure and thermal decomposition study of the [Ba₂Ni(NO₂)₆]·4H₂O compound

M. Insausti, A. Bolibar, L. Lorente and J. L. Pizarro

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Structure analysis of CaYAlO₄ under extinction-free condition using SR

N. Ishizawa, K. Morita and N. Kodama

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Structural diversity in thallium chemistry

M. James, A. Linden, B. James, J. Liesegang and V. Zuzich

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Ternary alkaline earth, lanthanoid and actinoid transition metal carbides

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The structure and cation distribution in the solid solution (Al_0.75Cr_0.25)(H₂O)₆(NO₃)₃·3H₂O

A. Kapor, S. Rakic and N. Furmanova

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Sub - and superstructure of AgPbBr₃

H.-L. Keller and H. Ullmann

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New chalcogenometallates of IVA and VA metals with layered complex anions

K. O. Klepp, D. Gurtner and D. Sturmayr

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Composition, crystal structures, thermal stability of new ternary potassium-containing molybdates

R. F. Klevtsova, L. A. Glinskaya, Zh. G. Bazarova and P. V. Klevstov

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X-ray diffraction study of Nd_2−xCe_xCuO_4−y

I. P. Makarova, A. Bram and H. Burzlaff

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Crystal structure of a new Li–Ge–S compound, Li₄GeS₄

Y. Matsushita and M. G. Kanatzidis

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Crystal structures of Hg₂Mo₅O₁₆, HgVO₃, Hg₂VO₄ and Hg₉As₄O₁₆

M. H. Möller, A. L. Wessels and W. Jeitschko

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Crystal structure of mixed-valence α-CoV₃O₈ with unusual metal distribution

Y. Oka, T. Yao and N. Yamamoto

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Structure of high-temperature phases of thallous nitrate

P. U. M. Sastry and A. Sequeira

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The structure of La₂₆(BO₃)₈O₂₇

E. Schweda, K. Wurst, J. H. Lin and M. Z. Su

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Isomorphous replacement in fluorites and sillenites

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Structural relationships among Cs₃MI₅ phases

R. Sjövall and C. Svensson

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[4+2]-Coordinated molybdenum in the chain structure of Rb₂Cu₂(MoO₄)₃

S. F. Solodovnikov, Z. A. Solodovnikova and V. I. Alekseev

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Pseudo-symmetry in structure of Re₆Se₇Br₄

N. L. Speziali and C. B. Pinheiro

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The new ternary intermetallide with a giant unit cell in the Nd–Ru–Sn system

J. Stepien-Damm, P. Salamakha and O. Bodak

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Structure refinement of CuInSe₂ by CCD camera

K. Suda, H. Kitahara, N. Ishizawa and Y. Noda

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Twinning in lanthanum oxysulfate

C. Svensson and B. Aurivillius

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Lithium aluminium borate, LiAl₇B₂O₁₇

G. Svensson and J. Åhman

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Superstructure of the defect perovskite type compounds La_1/3NbO₃

Y. Tabira, K. Tanabe, K. Suda and N. Ishizawa

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Novel ferricenium polyiodides

K.-F. Tebbe and R. Buchem

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Structural chemistry of metal hydrogen sulfates

S. Troyanov, C. Werner and E. Kemnitz

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Rb₂V₂O₃(HAsO₄)₂(H₂AsO₄)·H₂O: a mixed-valence vanadium(IV,V) arsenate

W.-J. Tsai and S.-L. Wang

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A new look at simple structures: the alkaline earth chalcogenides

A. Vegas and D. Tranqui

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Specific features of rare-earth polyhedra in alkali lanthanide nitrates

A. G. Vigdorchik

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Structure of [Sn(2-Se-C₅H₄N)_2.15(SPh)_1.85]: an X-ray crystallographic study supported by chemical and ¹¹⁹Sn NMR spectroscopic data

J. J. Vittal and P. A. W. Dean

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New polyanionic selenoaurates: the crystal structures of Cs₂Au₂Se₃, CsAuSe₃ and Na₅AuSe₁₂

C. Weithaler and K. O. Klepp

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Li_xB – a lithium boride containing linear boron chains

M. Wörle and R. Nesper

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Specific features of defect structure of Na_0.39Y_0.61F_2.22 crystals

E. A. Zhurova, B. A. Maximov, S. Hull, D. A. Keen, C. C. Wilson, B. P. Sobolev and V. I. Simonov

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Ca_xWO₃ bronze synthesized under high pressure

I. P. Zibrov and V. P. Filonenko

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Synthesis of some crystallochemical analogs of strontium anortite and their interrelations

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Rietveld refinements and temperature-dependent Moessbauer spectroscopic investigations of synthetic C2/c clinopyroxenes

G. Amthauer, G. J. Redhammer and W. Lottermoser

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Spinel formation in the mesosphere of the Earth after Cretaceous/Tertiary impact

S. Aslanian, A. Preisinger and L. Petrás

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Structural variations in the zeolite paulingite

A. Bieniok, W. Joswig and W. H. Baur

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The intermediate members of wagnerite–zwieselite mineral series

M. T. Dmitrieva and V. I. Fin'ko

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On possible reasons of sulfatic sodalite modulations

V. G. Evsyunin, A. N. Sapozhnikov, R. K. Rastsvetaeva and A. A. Kashaev

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Diffraction and non-diffraction studies of K-feldspars and high-Ca plagioclases

T. N. Moroz, T. N. Grigorieva, F. P. Lesnov and D. K. Arkhipenko

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Vacancy distribution in a synthetic nonstoichiometric pyroxene

M. Okui, F. Marumo and H. Sawada

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New data on tobermorite structure

N. I. Organova, A. E. Zadov, N. V. Chukanov, O. V. Kuzmina, M. A. Lizarev, A. V. Mochov and N. V. Trubkin

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Dissymmetrization and polymorphism in the apatite group minerals

R. K. Rastsvetaeva and A. P. Khomyakov

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High-temperature M-site disordering in Mn-olivines by in situ neutron diffraction

S. A. T. Redfern, C. M. B. Henderson, K. S. Knight and B. J. Wood

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Organomineral complexes in lacustrine soils from Xochimilco (Mexico)

A. L. Reyes Ortigoza, N. A. Herrera, N. García Calderón and J. Cañetas Ortega

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On the symmetry of synthetic and biological hydroxyapatite

J. Reyes-Gasga, M. Benaissa and D. Romeu

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Chemical and structural variations in serpentines from some meta-ultramafites of the Romanian Carpathians (Romania)

L. Robu, G. Stelea and I. N. Robu

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High-temperature powder diffraction of pollucite up to 1073 K

J. Schneider and H. L. Meyerheim

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Evolution of calcium-coordination in wairakite during high-temperature transformations

Yu. V. Seryotkin, W. Joswig, V. V. Bakakin, B. A. Fursenko and I. A. Belitsky

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The structural features of clay minerals from the super-deep well TSG-6 of the West Siberian Plate

E. P. Solotchina, T. A. Korneva and P. A. Solotchin

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Crystal chemical study of KAlSi₃O₈–KFeSi₃O₈ solid solution series

V. K. Taroev, V. L. Tauson, H. Kroll and J. Gottlicher

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Transformations of cubic lazurite with incommensurate-modulated structure

V. L. Tauson, A. N. Sapozhnikov, K. E. Kuznetzov and V. V. Akimov

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The influence of composition and external actions on mica crystal structure

V. V. Voyna and V. A. Liopo

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The crystal structure of scomiokite-(Y), Na₃Y(CO₃)₃3H₂O

D. Yu. Pushcharovsky, R. K. Rastsvetneva and I. V. Pekov

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Consideration of bridging geometries in rational synthesis of oxovanadium phosphates

M. R. Bond and T. Otieno

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Finding compound property patterns in empirical data sets using discovery methods

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Molecular chains, grids and cubicles: designing inorganic porous solids

P. Losier, D. C. MacQuarrie and M. J. Zaworotko

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In the memory of Linus Pauling. Parsimony

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Crystal structures of new double hydrogen phosphates with enormous unit cells

N. Anisimova, A. Ilyukhin and N. Chudinova

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Hydrothermal synthesis and structure of new framework molybdenum(VI) arsenates

K.-F. Hsu and S. L. Wang

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Donor-stabilized oxide and oxide fluoride of main group elements

Z. Zák, M. Éerník, K. Neplechová and J. Touzin

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Double spirals in structures of inorganic compounds

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A comparison of serial and imaging-plate data collection: the low-temperature charge density of DL-histidine

M. Carducci, R. Bolotovsky and P. Coppens

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Transferability of electron density: application to macromolecular systems

V. Pichon-Pesme, H. Lachekar and C. Lecomte

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Imaging of diffraction data by MEM

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Retrieval of spin densities from polarized neutron diffraction data using maximum entropy

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The prior in the maximum entropy method. Do non-nuclear maxima in Be and Si exist?

R. Y. de Vries, W. J. Briels and D. Feil

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A Bayesian approach to high-resolution X-ray crystallography: accurate density studies with program BUSTER

P. Roversi, J. Irwin and G. Bricogne

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Diffuse scattering account in accurate diffraction studies: a practical application

A. I. Stash, V. E. Zavodnik, V. G. Tsirelson and D. Feil

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Is the combination of FAST, HIPPO, DREAM and XD the new way forward to charge-density analyses?

B. R. F. Bracke and M. B. Hursthouse

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Anharmonicity in MnF₂ at low temperature: beyond the frozen-core approximation

W. Jauch, A. J. Schultz and R. F. Stewart

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Electron density and properties of rock-salt type crystals

V. E. Zavodnik, Yu. A. Abramov, A. I. Stash, E. L. Belokoneva, A. S. Avilov, U. Pietsch, J. Stahn, D. Feil and V. G. Tsirelson

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Charge-density studies of transition metal sulfides

Z. Su, P. Coppens, N. Ishizawa, N. Holzwarth and Y. Zeng

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4f-Electron density distribution in CeB₆ and its temperature dependence

K. Tanaka and Y. Ohnuki

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Electron-density studies of metal squarate complexes

C.-R. Lee, C.-C. Wang, G.-H. Lee and Y. Wang

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X–N study of the electron-density distribution in Ni(ND₃)₄(NO₂)₂ at 9 K

F. Krebs Larsen, B. B. Iversen, B. N. Figgis, P. A. Reynolds and A. J. Schultz

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Charge and spin density in some hydrates of nickel salts: bonding and artificial effects

I. Olovsson, G. J. McIntyre and H. Ptasiewicz-Bak

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Charge-density analysis in the 3d metal sandwich complexes with the mixed ring π-ligands

K. A. Lyssenko, M. Yu. Antipin and S. Yu. Ketkov

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Electron-density studies on tetraaquabis(hydrogenmaleate)iron(II)

I. M. de C. Mendes and N. G. Fernandes

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The charge density in adenosine at 123 K

H. W. Yang, J. R. Ruble, W. T. Klooster, S. K. Kampermann and B. M. Craven

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Experimental charge density of DL-serine and L-serine

J. Buschmann, T. Koritsánszky, M. Ramm and P. Luger

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The charge density of 9-ethyladenine-5,5-diethylbarbituric acid

M. Niederhut and B. M. Craven

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Multipole electron-density modeling in acentric space groups? Periodic ab initio calculations on hexamethylenetetramine

H. Birkedal and S. Larsen

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Experimental and theoretical charge densities in a model 'proton sponge' complex

P. R. Mallinson, K. L. McCormack and K. Wozniak

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Electron-density studies on 2,3-pyridinedicarboxylic acid

M. D. D. Costa and N. G. Fernandes

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Charge density of KDP(KH₂PO₄) by the maximum entropy method

S. Yamamura, S. Kasahara, M. Takata and M. Sakata

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Nuclear-density distribution of KDP(KH₂PO₄) obtained by the maximum entropy analysis

S. Kumazawa, K. Ishida, M. Takata, M. Sakata, Y. Ishii and Y. Morii

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Electron-density distribution of superconductor Sr₂RuO₄ by the maximum entropy method

Y. Sekii, H. Ishibashi and K. Nakahigashi

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Electron-density distribution in γ-CuBr by the maximum entropy method

H. Ishibashi, J. Tamura and K. Nakahigashi

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Charge- and nuclear-density distribution of the pyrochlore Y₂Sn₂O₇ by MEM

C. J. Howard, D. J. Cookson, B. J. Kennedy, T. Ikeda, M. Takata and M. Sakata

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Electron dynamical characteristics and stability of metal hydrides

R. P. Ozerov, A. V. Sazonov, A. V. Bochkarev, S. A. Samoilov and V. I. Khleskov

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Charge-density studies of organic non-linear optical materials

J. M. Cole, J. A. K. Howard, G. J. McIntyre, R. C. B. Copley, A. E. Goeta, M. Szablewski and G. H. Cross

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Charge-density study of nonlinear optical crystals: LBO, BBO and KB5

H.-S. Shen, C.-C. Wang, C.-R. Lee, Y. Wang, A. Darovsky, R. Bolotovsky and P. Coppens

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Applications of XD in charge-density research

T. Koritsanszky

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Building bridges between theory and experiment

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Corundum by density functional theory and Hartree–Fock calculations

K. Schwarz, P. Blaha and R. Dovesi

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Bragg diffraction measurements on corundum using synchrotron radiation

C. G. van Beek, H. P. Weber, P. Pattison and B. M. Craven

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Bond characterization of chromium-Fischer carbene complexes

Yu. Wang, C. C. Wang, H. J. Liu, K. J. Lin, L. K. Chou and K. S. Chan

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Topology of the interatomic interactions

C. Lecomte and E. Espinosa

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A simple method for predicting electron densities in complex and flexible molecules. Applications to conformational analysis

P. J. Becker, E. Bec and J. M. Gillet

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Properties of the promolecule

B. Etschmann and E. N. Maslen

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Quantum chemical and experimental study of urea

D. Feil, R. de Vries and V. Tsirelson

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The charge density of DL-aspartic acid

R. Flaig, T. Koritsánszky, P. Luger and D. Zobel

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Asphericity shifts from ab initio densities compared with experimental results

S. Harkema, B. J. M. Fransen, J. A. Romein and D. Feil

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On the relation between frequency shifts and electron-density shifts

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Electron-density distribution on two imino complexes [Co(C₁₀H₂₀N₈)(H₂O)₂]²⁺[ClO₄]₂²⁻ and [Cu(N₂ O₂C₁₆H₁₄)]₂

J. J. Lee, C. H. Hwang, G. H. Lee, Y. Wang, Y. S. You and S. M. Peng

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Comparing 90 K data to solid-state ab initio calculations from CRYSTAL92

A. Martin, A. A. Pinkerton and A. B. Kunz

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A database and molecular orbital study of intramolecular strong hydrogen bonds of metal–diglyoxime systems

K. W. McConnell and R. F. See

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Density functional study of ammonium fluoride: a comparison between theory and experiment

H. Overeem, R. Y. de Vries and D. Feil

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Topological properties of electron density of pentafluorosulfanyl derivatives

G. J. Perpetuo, T. Koritsanszky, D. Preugschat, D. Lentz and P. Luger

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Theoretical and experimental electron-density analyses of dihydroxybenzophenone

F. K. Ross, Z. Hu and R. Glaser

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The crystal structure of palladium diphenylglyoxime: an analysis of strong hydrogen bonds in palladium–diglyoxime compounds

R. F. See, C. Curtis, W. M. Strub and J. W. Ziller

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Charge-density distribution in AgGaS₂

R. Spengler, A. Bram, H. Burzlaff and V. Krämer

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New precise X-ray structure amplitudes of GaAs obtained by means of the Pendellösung method

J. Stahn, M. Möhle and U. Pietsch

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Bonding effects in GaAs: measurements of the 222/−2−2−2 Bijvoet ratio

A. W. Stevenson

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Rare-earth perovskites, synchrotron electron densities and magnetic properties

V. A. Streltsov

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Electron-density studies on metal trisdithiocarbamate and metal bisdithiocarbamate complexes

L.-Y. Tan, C.-R. Lee, C.-C. Wang and Y. Wang

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X-ray scattering factors of compressed atoms

B. C. Taverner and J. C. A. Boeyens

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Vitamin C at 120 K: experimental and theoretical study of the charge density

P. Ugliengo, R. Bianchi, B. Civalleri, C. Roetti and D. Viterbo

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Electron-density distribution of Fe(Phen)₂(NCS)₂ using the synchrotron radiation light source

C. C. Wang, H. S. Sheu, C. R. Lee, J. J. Lee, Y. Wang, A. Darovsky, R. Bolotovsky and P. Coppens

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Pressure-induced change of the stereochemical activity of a lone electron pair

B. Winkler and V. Milman

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Quantitative convergent-beam electron diffraction applied to bonding studies

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Debye–Waller factors and sub-lattice ordering in TiAl

S. Swaminathan, S. Jayanti, I. P. Jones, D. M. Maher, A. W. Johnson and H. L. Fraser

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Accurate structure factor measurements by convergent-beam electron diffraction

M. Saunders, P. A. Midgeley, T. D. Walsh and R. Vincent

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Determination of bond charge density and temperature factors for NiAl by convergent-beam electron diffraction

A. L. Weickenmeier, W. Nüchter and J. Mayer

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Ab initio quantum mechanical calculations of polarised neutron diffraction: results in transition metal complexes

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The use of maximum entropy in the interpretation of magnetization densities in nitroxide compounds

P. Schleger, A. Puig-Molina, E. Ressouche, O. Rutty and J. Schweizer

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Magnetization density profiles in magnetic multilayers

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High-resolution Compton scattering as probe of fermiology and electron correlations

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Some new inelastic scattering results concerning electron correlation in Li metal

W. Schuelke, G. Stutz, A. Kaprolat and K. Hoeppner

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Crystalline materials with very small or negative thermal expansion

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Radwaste incorporation in Synroc

E. R. Vance, B. D. Begg, R. A. Day and C. J. Ball

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Microwave ceramics

T. Siegrist, T. A. Vanderah and R. S. Roth

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Automotive catalysts: new studies on old ideas

C. K. Lowe-Ma, M. C. Paput Peck and R. J. Baird

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X-ray diffraction study of the domain structure and its stability in PbTiO₃ thin films grown on MgO(001) by MOCVD

B.-M. Yen, R. S. Batzer and H. Chen

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The low-temperature way to oxides via alcoholate precursors: structure, reactivity, morphology

H. Thoms, M. Epple and A. Reller

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Glass–mica compositions as an electric heater shell

L. V. Chilikanova, T. I. Shishelova, T. V. Sozinova and A. V. Shcherbakov

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Characterization of epitaxial ZrO₂ by X-ray diffractometry with parallel-beam geometry

P. Guinebretière, A. Dauger, O. Masson and B. Soulestin

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Determination of SiC polytypes distribution with high accuracy

H. Liu and C. Kuo

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Isotropic materials with low or negative thermal expansion

N. Khosrovani and A. W. Sleight

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Structure of cubic yttria-doped zirconia by synchrotron radiation

Y. Matsushima, M. Hayashi, K. Suda, Y. Tabira and N. Ishizawa

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Structure and properties of complex perovskite microwave ceramic dielectric resonators

H. Sreemoolanadhan, R. Ratheesh, M. T. Sebastian and P. Mohanan

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Effect of high pressure on polytypism and stacking disorder in sintered SiC

S. Stel'makh, S. Gierlotka, B. Palosz, M. Mohan, C. Divakar, S. K. Bhaumik and A. K. Singh

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BaTiO₃ synthesis parameter determination via X-ray powder diffraction analysis

C. Thompson, G. J. Kruger and J. D. van Wyk

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Ferroelastic domain switching and phase transformations in Ce-TZP

E. H. Kisi, S. J. Kennedy and C. J. Howard

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Correlation between the structure and properties of rare-earth titanates with formula (LnM)TiO₃

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High-temperature phase transition of SrRuO₃ and SrHfO₅: X-ray diffraction and PAC spectroscopy

J. A. Guevara, S. L. Cuffini, Y. P. Mascarenhas, P. de la Presa, A. Ayala and A. Lopez Garcia

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Crystal-chemical peculiarities of semiconductive solid solution based on barium titanate

O. I. Vyunov, A. G. Belous and T. Y. Kolodyzhny

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Neutron diffraction studies of fast-ion conducting chalcogenide and related glasses

P. S. Salmon and S. Xin

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The structure characterization of a super-ionic-conducting glass CuI–Cu₂MoO₄ by pulsed neutron scattering

K. Suzuki, K. Shibata and T. Tsurui

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Toward a full partial structure of ν-GeO₂

M.-L. Saboungi, D. L. Price and A. C. Barnes

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DAFS study of intermediate-range order in ν-GeO₂ and ν-GeSe₂

D. L. Price, M.-L. Saboungi, P. Armand and D. Cox

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Experimental Pt—Pt partial structure factors of platinum pyrimidine greens by AWAXS

R. Serimaa, V. Eteläniemi, M. Torkkeli, T. Laitalainen and J. Pitkänen

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The structure of liquid metal surfaces: X-ray reflectivity studies

P. S. Pershan, M. J. Regan, O. M. Magnussen, B. M. Ocko, M. Deutsch and L. E. Berman

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SAXS studies of porous gels and glass–nanocrystal materials

A. F. Craievich

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High-frequency collective excitations in liquid and solid water by inelastic X-ray scattering

G. Ruocco, U. Bergmann, M. Krisch, C. Masciovecchio, V. Mazzacurati, F. Sette, G. Signorelli and R. Verbeni

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Two-dimensional SAXS investigation of polarizing glasses

S. Polizzi, P. Riello, G. Fagherazzi, M. Bark and N. F. Borelli

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Structural transformations of heated ferro-based amorphous alloys

A. S. Veksler, G. A. Kuznetsova, V. I. Boldyrev and A. L. Ivanovsky

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Structure of nanocrystalline spinel ferrite produced by high-energy ball-milling method

V. Sepelak, A. Yu. Rogachev, U. Steinike, D.-Chr. Uecker, S. Wissmann and K. D. Becker

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Modulations of intermetallic B8-type phases

S. Lidin, M. Elding and L. Stenberg

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Profiling strain in thin buried layers by convergent-beam electron-diffraction techniques

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X-ray strain measurements on semiconductors

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Strain determination in semiconductors by convergent-beam electron diffraction

A. Armigliato, R. Balboni, A. Benedetti, S. Frabboni and J. Vanhellemont

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Precision, accuracy and resolution of strain measurement with electron micro-diffraction

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Measurement of lattice strain in metals by quantitative convergent-beam electron diffraction

J. Mayer, C. Deininger, S. Streiffer and A. Weickenmeier

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Measurements of spatial distribution of strain in quantum wire structures by coherent grating X-ray diffraction

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Quantitative analysis of weak deformation fields in crystals by X-ray plane wave topography

A. E. Voloshin, I. L. Smolsky and S. S. Sorokin

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X-ray and neutron diffraction strain measurement developments at ORNL

C. R. Hubbard, T. R. Watkins, K. J. Kozaczek, S. Spooner, X.-L. Wang, M. C. Wright, E. A. Payzant and X. Zhu

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Triple-axis X-ray diffraction study of polishing damage in III–V semiconductors

C. D. Moore, I. Pape and B. K. Tanner

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Application of X-ray scanning combined with acoustic waves excitations to the strain studies in silicon wafers

E. Raitman, E. Iolin, B. Kuvaldin, V. Gavrilov and L. Rusevich

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Measurements of strain around defects in synthetic diamonds

M. Moore and G. Kowalski

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Evolution of stress distributions and morphology of CVD diamond films

J. W. Steeds, N. C. Burton, A. R. Lang, D. Pickard, Yu. Shreter and J. E. Butler

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High-temperature deformation behavior of CdTe

T. E. Stevens, J. C. Moosbrugger and F. M. Carlson

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The microhardness of σ-Al₂O₃ grown by the skull-melting technique

W. Guse, C. Lathe, M. Kriens and H. Saalfeld

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Crystal modulus of poly(hydroxybutyrate)

J. Siripitayananon, T. Wongchanapiboon, T. M. Nicholson, A. P. Unwin and I. M. Ward

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Particle size and strain measurement in rhenium powder by means of the Warren–Averbach method

J. L. Garin, R. L. Mannheim and J. A. Costamagna

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Near-edge and fine structure of titanium oxides

S. A. Song, J. C. Lee, K. Yu. Pogrebitsky and O. A. Usov

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X-ray diffraction studies on diffuse scattering in single quasicrystals

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Observing and understanding arcs of diffuse scattering from quasicrystals

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Methods for ab initio structure solution of decagonal quasicrystals

T. Haibach and W. Steurer

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Dynamical X-ray diffraction in icosahedral Al–Pd–Mn quasicrystal

R. Colella, Y. Zhang, S. Kycia and A. Goldman

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The incommensurately modulated phases of hexamine derivatives

V. B. Gaillard, G. Chapuis and W. Paciorek

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Rietveld analysis of incommensurate composite crystals Sr_xTiS₃ (x = 1.1–1.2)

M. Onoda, M. Saeki, A. Yamamoto and K. Kato

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Composite modulated structures in anion excess fluorites

S. Schmid, K. Fütterer, J. G. Thompson and R. L. Withers

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Simulation of the temperature dependence of the Rb₂ZnCl₄ incommensurate phase diffraction pattern

I. Aramburu, G. Madariaga and J. M. Pérez-Mato

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Crystals and quasicrystals: electronic structure versus atomic structure

E. Belin-Ferre and J. M. Dubois

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Local configurations and allophases in aperiodic crystalline structures

S. I. Ben-Abraham

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Growth of polytypic crystals CdI₂, PbI₂ and study of laser-induced phase transitions using X-ray diffraction

S. K. Chaudhary

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Atomic structure, growth and faceting of icosahedral quasicrystals

V. E. Dmitrienko and S. B. Astaf'ev

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Symmetry relationships in the homeotypical aluminium-rich structures with pentagonal channels

M. Ellner, U. Burkhardt and Yu. Grin

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X-ray diffuse scattering in quasicrystals: collecting large three-dimensional diffraction volumes with image plates

M. A. Estermann and W. Steurer

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Fibonacci chain – a quasiperiodic approach of one-dimensional aperiodic structures

M. Farkas-Jahnke

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Structural studies on incommensurate-normal phase transition in Co-åkermanite, Ca₂CoSi₂O₇

K. Hagiya, K. Kusaka, N. Haga, M. Ohmasa and K. Iishi

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Simulations on the phase transformation of decagonal Al–Co–Ni to its crystalline approximants

M. Honal, T. Haibach and W. Steurer

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Dynamical diffraction and X-ray standing waves from two-fold reflections in the quasicrystal AlPdMn

T. Jach, S. M. Thurgate, Y. Zhang, R. Colella, S. Kycia, A. I. Goldman, M. de Boissieu and M. Boudard

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Disorder and diffuse scattering of channel-type inclusion compounds with perhydrotriphenylene

O. König, H. B. Bürgi, T. Armbruster and J. Hulliger

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Comparison of the low-temperature phase transitions in K₂CoCl₄ and K₂ZnCl₄

J. Kusz, J. Warczewski and A. Pietraszko

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The structure modulation of Bi-based high-T_c superconductors

A. A. Levin, Yu. F. Shepelev and Yu. I. Smolin

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Mossbauer diffraction in crystals with incommensurate modulation

E. N. Ovchinnikova

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Dynamical scaling and diffuse scattering during polytypic transitions

D. Pandey and S. P. Shrestha

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Misfit layer compounds (SbS)_1.15(TiS₂)_n with n = 1, 2

Y. Ren, A. Meetsma, S. van Smaalen, V. Petricek, C. H. Ruecher, C. Haas and G. A. Wiegers

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Structural phase transitions in Rb₂CoCl₄ single crystal

N. M. Sergeevna and T. R. Arshamovich

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Polytype transformations induced by uniaxial loading in ZnS crystals

V. Sh. Shekhtman, S. S. Khasanov, S. Z. Shmurak and B. Zh. Narymbetov

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Peculiarities of quasicontinuous mediums

V. A. Sosnovsky

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The incommensurate structure of 1T-TaS₂

A. Spijkerman, A. Meetsma, G. A. Wiegers, S. van Smaalen and J. L. de Boer

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Mechanism of the phase transformations in decagonal quasicrystals

W. Steurer, M. Honal and T. Haibach

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The sliding mode in incommensurate intergrowth compounds

S. van Smaalen and D. Schmicker

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Aperiodic crystal structure in vegetable fibres

N. Van Tri, P. The Vung, L. Hai Hung and N. Van Thang

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Five-dimensional maximum entropy method applied to the structure refinement of decagonal Al₇₀Mn₁₇Pd₁₃

S. Weber and A. Yamamoto

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Five-dimensional superstructure model of decagonal Al–Ni–Co quasicrystals

A. Yamamoto, S. Weber and A. P. Tsai

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High Tc superconductors and related oxides: high-pressure phases

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Unusual layered metal oxides

S. M. Kauzlarich

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Layered cuprates

K. Poeppelmeier

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Hg-based superconducting Cu mixed oxides

E. V. Antipov, S. N. Putilin, E. M. Kopnin, V. A. Alyoshin, A. M. Balagurov, S. M. Loureiro, J. J. Capponi and M. Marezio

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High-pressure and low-temperature study of the LTO to LTT phase transition in La_1.875Ba_0.125CuO₄

R. L. Harlow, M. K. Crawford, E. M. McCarron, S. W. Tozer, D. E. Cox, Q. Zhu, T. Vogt and J. D. Jorgensen

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Structure modification to increase flux pinning in Hg–Ba–Ca–Cu–O superconductors

J. D. Jorgensen, O. Chmaissem, D. N. Argyriou, D. G. Hinks, P. Guptasarma, J. Shimoyama, K. Kishio, K. Yamaura, Z. Hiroi, M. Takano, B. G. Storey, H. Zhang, L. D. Marks, Y. Y. Wang, V. P. Dravid and B. Dabrowski

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Oxygen content and tweed/twin transition of YBa₂Cu_3−xAl_xO_6+y single crystals

W. W. Schmahl, B. Wruck, E. Brecht, Th. Wolf, N. H. Andersen, M. Rodewald, G. Miehe and H. Fueß

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Crystallization field investigation of the (Bi,Pb)–Sr–Ca–Cu–O system

L. P. Cook and W. Wong-Ng

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Oriented crystalline layers on the surface of bismuth superconducting glass ceramics

S. Simon, Gh. Borodi and T. Farcas

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The preparation of crystalline NbSe₂/TiSe₂ superlattices from modulated elemental reactants

D. C. Johnson and M. Noh

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Structural analysis of the thin films of mercury cuprates using IP-Weissenberg method

K. Nakanishi, Y. Moriwaki, T. Sugano, S. Adachi, A. Tsukamoto and K. Tanabe

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Neutron high-resolution single-crystal diffraction study of phase-separation phenomenon in La₂CuO_4+δ

A. M. Balagurov, V. G. Simkin, V. Yu. Pomyakushin and A. A. Zacharov

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Diffuse scattering study of Bi₂Sr₂CaCu₂O_δ crystals

L. Shi, T. Ohba, T. Hara, M. Tanaka and Y. Zhang

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Recovery of superconductivity in the water-degraded YBCO samples

S. Rekhi, G. L. Bhalla and G. C. Trigunayat

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Real structure and photoluminescence spectra of copper oxide high-Tc superconductor single crystals and ceramics

T. V. Smirnova and P. V. Zinoviev

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In situ high-temperature electron diffraction studies on the modulated structures in (Bi,Pb)-based superconductors

M. Czank, W. Depmeier and N. D. Zhigadlo

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Oxygen defect structure in La₂MO_4+δ (M = Cu, Ni, Co)

W. Paulus, A. Cousson, G. Heger, A. Revcolevschi, G. Dhalenne, S. Hosoya and V. Kvardakov

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YBa₂Cu₃O_7−x structural systematics for equilibrium cooled samples

B. C. Chakoumakos, T. B. Lindemer and M. Yethiraj

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Crystal chemical design of high-T_c superconductors on the ground of oxide and intermetal layers

L. M. Volkova, S. A. Polyshchuk and S. A. Magarill

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The plane buckling anomalies and superconductivity of copper oxide materials

A. V. Klochkov and O. A. Usov

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Useful tools for high-T_c single crystals on the diffractometer: testing, data collection and refinement of crystal structures

V. N. Molchanov

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Structural anomaly induced in YBa₂Cu₃O_x (6 < x < 7) by H₂O absorption

S. Edo and T. Takama

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On the structure of oxidized Pb₂Sr₂Y_0.5Ca_0.5Cu₃O₈

J. E. Jørgensen, M. H. Iversen and N. H. Andersen

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Ca substitution and oxygen deficiency in Y₁Ba₂Cu₃O_7−δ

P. Berastegui, S.-G. Eriksson and L.-G. Johansson

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Systematic X-ray diffraction study of Ba_1−xK_xBiO_3−δ single crystals

C.-H. Chou, A. Wang, H.-K. Fun, T. J. Lee, H. Y. Tang, C. H. Lin and M. K. Wu

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The superconducting structure fragments with T_CI 180 K

G. M. Kuz'micheva, S. I. Mukhina, A. V. Mitin and E. P. Khlybov

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Structural 'tuning' of magnetism in A_1−xA′_xMnO₃(A = La, Pr; A′ = Ca, Sr, Ba)

P. G. Radaelli, D. E. Cox, M. Marezio, S.-W. Cheong, P. E. Schiffer, A. P. Ramirez, D. N. Argyriou and J. D. Jorgensen

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Magnetostructural phase transitions in La_1−xSr_xMnO₃ with controlled carrier density

A. Asamitsu and Y. Tokura

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The structural phase diagram of the magnetoresistive oxide La_1−xSr_xMnO_3+δ: relationship to magnetic and transport properties

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The transition from polaronic to itinerant electrons in the orthomanganites

J. B. Goodenough and J.-S. Zhou

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Structure and giant magnetoresistance of La_1/3R_1/3Cu_1/3MnO₃:

G. Rao, J. Liang, J. Sun and Y. Sun

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Giant magnetoresistant effect in the layered perovskites (Ca,La)₄Mn₃O₁₀

F. J. Lincoln, P. Goodman, N. S. Witte and R. H. March

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Optimizing the search for new ferroelectric/ferroelastic optics

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Periodic domain inversion in crystals: 'designer' optical materials

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Structural studies of the nonlinear optical, ferroelectric, and ionic-conducting properties of new members of the KTiOPO₄ family

E. L. Belokoneva, B. V. Mill, S. Yu. Stephanovich, K. S. Knight and W. I. F. David

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High optical nonlinearities in aluminium borate crystals

D. A. Keszler and K.-S. Chang

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Electro-optic crystals

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Neutron diffraction of KTiOPO₄ and isomorphs

J. Almgren, G. Svensson and J. Albertsson

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Can small organic molecules introduce nonlinearity into an inorganic matrix?

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Dielectric characteristics of pure and mixed rare earth (La, Nd) heptamolybdate crystals grown by gel encapsulation technique

S. Bhat, S. K. Khosa, P. N. Kotru and R. P. Tandon

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X-ray diffraction studies of the structural origin of some optical emission bands in ion-doped NaCl crystals

A. E. Cordero-Borboa

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The crystal structure of Cd₄GeSe₆, a II₄ IV VI₆ semiconducting material

J. M. Delgado, J. A. Henao, A. E. Mora and M. Quintero

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Molecular metals: structure and properties

O. A. Dyachenko, V. V. Gritsenko, S. V. Konovalikhin, R. N. Lyubovskaya, E. B. Yagubskii, R. B. Lyubovskii and E. Canadell

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Comparative investigations of Nb- and Ta-doped KTiOPO₄ materials by high-resolution X-ray diffraction

C. J. Eaton, P. A. Thomas, K. B. Hutton and R. C. C. Ward

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Er³⁺-doped KTiOPO₄ waveguide by ion exchange

P. Q. Huang and P. A. Thomas

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Structure and properties of Na_0.17K_0.83TiOPO₄ single crystal, synthesized by flux method

D. Y. Lee, N. I. Sorokina, I. A. Verin, V. I. Simonov, V. I. Voronkova and V. K. Yanovsky

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Polymorphism and co-crystals: a case study of aminonitropyridines

M. Nieuwenhuyzen and C. B. Aakeroy

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Crystal structure of vacancy ordered ZnGa₂Se₄

O. Nittono, T. Hanada and Y. Nakamura

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New-type interference pattern generated by internal stress around a micropipe in the 6H-SiC single crystal

H. Ohsato, T. Kato, M. Razeghi and T. Okuda

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The population and structural changes of the metastable state II in sodium nitroprusside (Na₂[Fe(CN)₅NO]·2H₂O) at 60 K

J. Schefer, T. Woike, S. Haussühl, T. Fernandez and G. McIntyre

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Calculation of the linear and nonlinear optical susceptibilities in KTP and MXO₄ crystals (M = Ga, Al; X = P, As)

Ch. Schetelich and P. A. Thomas

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Aggregation of divalent impurities in codoped NaCl and KCl single crystals

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Antimony-doped tin oxide thin films (SnO_x) made by evaporation method

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Ba₂ErCl₇: a new ternary rare earth chloride with barium

M. S. Wickleder, Ph. Egger and J. Hulliger

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Structural investigations of microwave titanate ceramics

W. Wong-Ng, A. R. Drews, T. A. Vanderah, R. S. Roth and L. A. Bendersky

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The use of electron crystallography to determine the structural dependence of nonlinear optical properties in organic molecules

Z. X. Zhang, C. Gilmore, U. Kolb and I. G. Voigt-Martin

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Synthesis, properties and crystal structures of compounds in the systems KTiOPO₄–TlTiOPO₄, RbTiOPO₄–TlTiOPO₄ and KTiOPO₄–KGeOPO₄

N. I. Sorokina, D. Y. Lee, I. A. Verin, V. I. Simonov, V. I. Voronkova and V. K. Yanovsky

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Limits on precision and accuracy in powder diffraction data analysis

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Data collection, analysis and accuracy in synchrotron X-ray powder diffraction

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Anomalous scattering powder diffraction: a versatile tool

A. P. Wilkinson

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Discussion on experimental techniques for X-ray computed depth profiling

K. Tao and J. Luo

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Magnetism and neutron powder diffraction

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Effect of Ca substitution on the room-temperature structure of SrTiO₃: a powder neutron diffraction study

R. Ranjan and D. Pandey

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Characterization of multilayers and thin films by high-resolution X-ray diffraction and X-ray standing waves

M. Kovalchuk and S. Zheludeva

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Determination of polymer electrolyte structures by X-ray powder diffraction

P. Lightfoot, Y. Andreev and P. G. Bruce

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Four ternary structures in the Al–Cu–Ru system

C. Freiburg, U. Lemmerz and W. Reichert

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Structure refinement of gamma alumina – revisited

B. K. Gan and B. H. O'Connor

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Neutron powder diffraction study of the nuclear and magnetic structures of La_1−xM_xMnO₃ (M = Ca and Sr)

Q. Huang, A. Santoro, J. W. Lynn, R. Erwin, J. Borchers, J. Peng and Z. Y. Li

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A Rietveld-refinement program for the TOF neutron powder diffractometer VEGA

F. Izumi, K. Oikawa and T. Kamiyama

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Investigation of structure and composition of IrO₂–Ta₂O₅ surface layers

J. Krysa and J. Maixner

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Improved modal analysis from X-ray powder diffraction data

W. G. Mumme, G. Tsambourakis, R. J. Hill and I. C. Madsen

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Crystal data and X-ray powder diffraction data of lobenzarit acid and lobenzarit disodium

H. Novoa de Armas, R. Pellón Cómdom, R. Pomés Hernández and J. Duque Rodriguez

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Neutron study of the structure and chemical stability of (Y_1−xCa_x)(Ba_2−xLa_x)Cu₃O_7−d

H. Rajagopal, A. Sequeira, R. Ganguly and J. V. Yakhmi

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Rietveld analysis of Al including TDS terms

P. Riello, P. Canton and G. Fagherazzi

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X-ray Rietveld analysis of the 6H solid solution BaTi_1−xFe_xO_3−z

R. S. Roth, T. A. Vanderah, I. E. Grey, C. Li and L. Cranswick

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Modelling dislocation-induced line broadening in Rietveld refinements using a Voigt function

E. H. Kisi, E. Wu and E. M. A. Gray

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Dynamic characterization of cement and ceramic chemistry

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In situ X-ray and neutron powder diffraction studies of phase equilibria in metals and ceramics

S. T. Misture and C. R. Hubbard

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Hydrothermal conversion of zeolites: an in situ time-resolved synchrotron X-ray powder diffraction study

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Time-resolved diffraction study under extreme condition

T. Yamanaka and T. Nagai

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In situ synthesis of ceramics at elevated temperatures

M. A. Roberts, G. Sankar, G. N. Greaves, C. R. A. Catlow, J. M. Thomas, L. M. Colyer, R. H. Jones and E. G. Giulotto

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High-temperature X-ray diffraction study of the melting sequence of the 2223 phase in the Bi–Sr–Ca–Cu–O system

C. Park, W. Wong-Ng, L. P. Cook, R. L. Snyder, P. V. P. S. S. Sastry and A. R. West

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Kinetics of dehydration of Ca-montmorillonite: an in situ synchrotron X-ray study

H. J. Bray and S. A. T. Redfern

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Real-time X-ray powder diffraction experiments on cocoa butter

H. Schenk, K. F. van Malssen and R. Peschar

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Phase equilibria and structures of some crystalline phases in Rb₂O–B₂O₃ system

S. K. Filatov, R. S. Bubnova, M. G. Krzhizhanovskaya and I. G. Polyakova

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Crystallography of micro- and mesoporous framework structures

H. Fuess, C. Kirschhock and C. Pophal

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Structural determination of mesoporous materials by electron microscopy

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Structure–property studies in framework materials

B. H. Toby and J. B. Higgins

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Salt skeletons and porous polymers: the solid-state reactivity of halogenoacetates

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A combinatorial method of generating periodic tetrahedral frameworks

M. M. J. Treacy, K. H. Randall, S. Rao, J. A. Perry and D. J. Chadi

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The new open framework Na_x[(V^IVO₂)₂ (V^V(O,OH))_0.5PO₄](PO₄)_y(OH)_x−1.5−3y·zH₂O (with x = 1.5–2.0, y = 0–0.17, z = 3–4)

M. Schindler and W. H. Baur

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Structural studies of DAF-4

P. A. Barrett and R. H. Jones

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Time-resolved crystallography of guest/host compounds: molecular recognition and phase transitions in sodalites M[SiO₂]₆

J. Felsche, P. Behrens, C. Braunbarth, W. Bührer, G. Engelhardt, P. Fischer and G. Van De Goor

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A universal structure-based classification of inorganic microporous materials

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Stability of spatial distribution of water molecules in natural zeolites

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Structure of semiconductor clusters incorporated into zeolite X and shabasite

Yu. I. Smolin, Yu. F. Shepelev, A. E. Lapshin and E. A. Vasilyeva

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Applications of synchrotron/imaging-plate system to elucidate the structure and synthetic pathways to open framework antimony sulfides

K. Tan, J. B. Parise, Y. Ko, A. Darovsky, P. Norby and J. C. Hanson

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The synthesis and crystal structures of alkaline earth metal indium phosphates

X. Tang and A. Lachgar

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Orientation of naphthalene in H-ZSM-5 as determined from powder and single-crystal X-ray data

H. van Koningsveld and J. C. Jansen

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Determination of the endohedral nature of the metallofullerene Y@C₈₂ by MEM

M. Takata, E. Nishibori, B. Umeda, M. Sakata, M. Ohno, H. Shinohara and Y. Saito

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X-ray diffuse scattering and intermolecular interactions in solid C₆₀

R. Moret, P. Launois and S. Ravy

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Geometry and stability of graphitic onion-like structures

H. Terrones and M. Terrones

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New structural studies of chemically modified fullerenes

A. L. Balch, M. M. Olmstead, D. A. Costa, A. Ginwalla and D. Lane

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Momentum density of K_xC₆₀

G. Loupias, Ch. Bellin, M. Marangolo, J. Moscovici, S. Erwin, S. Rabii, C. Hérold, J. F. Marêché and P. Lagrange

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Phases in the A₁C₆₀ system (A = K, Rb, Cs)

G. Faigel, G. Bortel, L. Gránásy, G. Oszlányi, S. Pekker, T. Pusztai, M. Tegze, L. Forró, P. W. Stephens and G. Bendele

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Structural studies of heterofullerenes and their intercalated derivatives

K. Prassides and F. Wudl

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Quantitative nanodiffraction from carbon nanotubes

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Fullerene crystals: diffraction effects and the orientation ordering problems

R. A. Dilanian, O. G. Rybchenko, E. V. Shulakov and V. Sh. Shekhtman

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Structure of the C₆₀·TMPD new complex

V. V. Gritsenko, O. A. Dyachenko and V. A. Nadtochenko

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Orientational fluctuations, diffuse scattering and orientational order in solid C₆₀

K. H. Michel and J. R. D. Copley

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Rare-gas intercalated C₆₀

B. Morosin, G. H. Kwei, J. D. Jorgensen, S. Short and J. E. Schirber

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Crystal structure and phase transition of fullerene C₇₆

H. Nakao, Y. Fujii, T. Watanuki, K. Ishii, T. Ino, H. Suematsu, H. Kawada, Y. Murakami, K. Kikuchi, Y. Achiba and Y. Maniwa

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Crystal structures and luminescence properties of the molecular complexes C₆₀ and C₇₀ with 9,9′-trans-bis(telluraxanthenyl)

B. Zh. Narymbetov, S. S. Khasanov, L. P. Rozenberg, R. P. Shibaeva, E. A. Steinman, V. V. Kveder, D. V. Konarev and R. N. Lyubovskaya

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Stacking faults in hexagonal C₇₀ single crystals studied by diffuse X-ray scattering

D. Schwarzenbach, E. Blanc, R. Restori, H.-B. Bürgi and P. Ochsenbein

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Phase diagram of the platinum–vanadium system as deduced from diffuse scattering of neutrons

R. Caudron, D. Le Bolloc'h and A. Finel

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The modelling of the real structure of single crystals with chemical inhomogeneity

T. I. Ivanova and O. V. Frank-Kamenetskaya

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Structural fluctuations and the kinetics of the martensitic phase transition

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Residual short-range order in a heavy fermion compound CeInCu₂

I. Takahashi, T. Kagayama, G. Oomi, Y. Onuki and T. Komatsubara

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Neutron and X-ray scattering studies of neutron-irradiated iron crystals

J. L. Robertson and R. E. Stoller

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Defect structure and disorder in lithium niobate

H. Boysen, F. Frey and N. Zotov

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The defect structure of non-stoichiometric ferrous oxide

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A paracrystalline description of defect distributions in wüstite, Fe_1−xO

T. R. Welberry and A. G. Christy

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The method for accurate calculations of binary correlation functions in two-component crystal structures

R. V. Chepulskii and V. N. Bugaev

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X-ray scattering from microdefects

E. Gartstein and D. Mogilyanski

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The influence of the vacancies induced by interstitial impurity on structural stability of crystal structures

V. G. Gavriljuk, V. N. Bugaev, A. V. Tarasenko and B. Z. Yanchickii

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Recovery of static atomic displacements in Fe–Ni solid solutions with the 3λ technique

G. E. Ice, X. Jiang, L. Robertson, C. J. Sparks and P. Zschack

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X-ray diffraction study of diamond containing platelets

G. Kowalski, J. Gronkowski and M. Moore

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Locally modulated structures of the Y₂O₃–Nb₂O₅ solid solutions

R. Miida, F. Satoh, M. Tanaka, H. Naito and H. Arashi

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Reverse Monte Carlo simulations of the neutron and X-ray diffuse scattering of cubic stabilized zirconias

Th. Proffen, T. R. Welberry and R. B. Neder

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Defect structure of ZrO₂–Y₂O₃ (Y₂O₃ – 3, 12, 30 mol%) single crystals. Neutron and X-ray investigation

V. A. Sarin, E. E. Rider, D. Hohlwein, W. Depmeier, H. Bessert, F. Frey and K. Hroudil

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Interstitial transition metal ordering in wide range non-stoichiometric M_2+xSn₂ (M = Co, Ni) solid solutions

R. L. Withers and A. K. Larsson

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Point defect clusters in PbTe:In

A. K. Tkalich, K. D. Chtcherbatchev and V. P. Zlomanov

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Crystal chemistry of layered vanadium oxide cathode materials

P. Y. Zavalij and M. S Whittingham

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Structural aspects of transition metal oxide cathode materials for lithium batteries

C. Lampe-Önnerud, S. Greenbaum, P. E. Stallworth, S. Kostov, M. denBoer, D. Fauteux and A. Massucco

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Rietveld refinements of α-MnO₂ and lithiated α-MnO₂ from neutron data

M. F. Mansuetto, D. W. Dees, C. S. Johnson, M. M. Thackeray, D. W. Vissers, D. Argyriou and L. Christensen

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The structure of the lithium ion insertion spinel Li_1+xMn_2−xO₄

H. Berg, J. Thomas and E. Kelder

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Disordered carbon for rechargeable Li-ion battery

J. S. Xue, J. R. Dahn and W. Xing

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Materials design of lithium ionic conductor with the spinel structure

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Perovskites for solid oxide fuel cells

A. Skowron, P. Huang and A. Petric

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Structure–property relations in pyrochlore-type oxides for fuel cell applications

P. Önnerud, K. Eberman and B. J. Wuensch

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Single-crystal X-ray diffraction studies on electrochemically lithiated V₆O₁₃

Ö. Bergström, T. Gustafsson and J. O. Thomas

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Neutron powder diffraction of operating electrochemical cells containing LaNi_5−yAl_yD_x electrodes

G. L. Burr, J. W. Richardson, J. M. Carpenter, W. Peng, L. Redey and A. N. Jansen

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Crystal structure of Li_6−3xAl_xGe₂O₇ prepared via a sol–gel method

H. S. W. Chang, J. C. Wang, K. Guo, L. S. Liou and C. M. Tsai

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Neutron Rietveld analysis of fast ion conducting Ca-doped (Y_0.95Ca_0.05)₂Ti₂O₇ pyrochlore

K. Eberman, P. Önnerud, B. J. Wuensch and J. K. Stalick

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The effect of potassium on the physical, chemical and structural properties of electrolytic manganese dioxide (EMD)

V. Ichharam, A. W. Bryson, D. Levendis and F. Crundwell

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Solid oxide fuel cell materials - synthesis from aqueous solutions

T. Yao, A. Ariyoshi and T. Inui

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Structural implications on the magnetic properties of molecular conductors. Study on the (X)₂M(dtq)₂ family

M. T. Duarte, J. Ayllon, I. C. Santos, R. T. Henriques and M. Almeida

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Complexes of fullerenes with host molecules

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Reactivity and structure of chiral crystal

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Crafting porous crystalline networks in molecular-based solids

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Modelling micellar aggregation of bile salts

S. Candeloro De Sanctis

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Molecular recognition of dihomooxacalix[4]arene in the crystal structures of (1:1) complexes with xylene isomers

K. Tomita, K. Suzuki, I. Nakanishi, A. E. Armah, Z. Asfari and J. Vicens

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Inclusion compounds: relating structure to thermal stability

L. R. Nassimbeni

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Molecular recognition of anions: hydrogen-bonding properties of sulfate, thiocyanate and picrate anions

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Model study of the recognition center involving pyrimidine bases and amide group of amino acids

I. K. Galetich and V. S. Shelkovsky

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Molecular recognition of the phytohormone auxin and related compounds

B. Kojic-Prodic, S. Antolic, S. Tomic and V. Magnus

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π–π stacking in model dye hosts

C. M. Murray, J. F. Malone, R. Docherty, A. J. Lavery and G. Stewart

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Structure of the lead picrate complexes with 18-membered crown ethers in the crystal state and in organic solvents

N. K. Dalley, J. D. Lamb, A. Y. Nazarenko and E. B. Rusanov

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Beyond routine structure determination – the renaissance of small moiety crystallography

A. A. Pinkerton

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Time-resolved structure analysis of crystalline-state reaction by a new diffractometer designed for rapid data collection

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Experimental X-ray diffraction evidence of the unusual bond bending in small molecules

M. Antipin and R. Boese

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Dyeing crystals

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Quality control and deposition in the Cambridge Structural Database

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Controlled crystallization from solution and 'in situ' by IR laser: the circumvent of plastic phases

R. Boese, M. Nuesse and M. Nussbaumer

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Structure determination of 1,2-dimethoxyethane and the related compounds by using a new diffractometer

Y. Yokoyama, H. Uekusa and Y. Ohashi

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Vibration and diffusion in crystals of small molecules and proteins: simulation experiment

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Molecular dynamics in substituted cubanes – a joint crystallographic and solid-state NMR study

A. J. Edwards, M. J. Hardie, F. Separovic and J. Tsanaktsidis

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Analysis of rigid body and non-rigid body motions in X-ray crystallography

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Energy dispersive diffuse scattering studies of adamantane (C₁₀H₁₆) and diamond

J. S. Reid, M. Moore and G. Kowalski

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Order–disorder phenomena in cyclodextrin inclusion compounds

G. Le Bas, S. A. Mason and J. Doucet

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Structure and dynamics of t-butylcalix[4]arine inclusion compounds

G. D. Enright, E. B. Brouwer, E. J. Gabe, C. I. Radcliffe and J. A. Ripmeester

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Comparison of 158 K thermal parameters for (NH₄)H₂PO₄ obtained from neutron and from high-order conventional and synchrotron X-ray data

M. Souhassou, N. Peres, C. Lecomte, H. Graafsma and E. Espinosa

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Molecular rearrangement due to crystal packing

J. C. A. Boeyens

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Crystallography and kinetics: structure correlations in the light of Marcus rate-equilibrium theory

V. Ferretti, P. Gilli, V. Bertolasi and G. Gilli

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Influence of doping on low-frequency dielectric relaxation of (VDF-TrFE) copolymer

T. B. Frolova, N. D. Gavrilova and K. A. Verkhovskaya

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Non-topological phase transition of N-2,4-dinitrophenyl-o-anisidine

K. Takada, K. Taguchi, M. Yasui and F. Iwasaki

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X-ray method for structure determination of equilibrium solid–liquid system

Yu. V. Agrafonov and F. E. Ushakov

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Dipole structure model of mica crystals

M. S. Metsik and G. K. Novikov

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Rearrangement reactions in solid-state organic compounds

M. Kaftory, E. Handelsman-Benory and M. Botoshansky

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Solid-state reactions of inorganic compounds

E. V. Boldyreva

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The effects of coherency on phase equilibria

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Solid-state polymerization reactions in alkali salts of halogenocarboxylic acids

O. Herzberg, H. Kirschnick and M. Epple

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The kinetics of the pressure-induced B1–B2 phase transformation in rubidium iodide

A. R. Rezai-Fard, J. Anwar and S. M. Clark

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The reactivity of solid benzophenones towards solid-state reduction: structural and thermodynamic aspects

D. Abeln, S. Ebbinghaus, J. Kopf and M. Epple

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Effect of caesium and strontium on real structure of feldspar and carbonate minerals

V. V. Akimov and V. L. Tauson

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Investigation of kinetics of dehydroxylation reaction in muscovite

M. T. Dehtyaruk, E. A. Kalinichenko, A. S. Litovchenko, A. M. Kalinichenko and N. N. Bagmut

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Intermediate structure of carbon atom from nonbonded π–π interaction to σ-covalent bond

T. Ishida, Y. In, H. Nagata, C. Hayashi, M. Doi and A. Wakahara

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Reaction kinetics on formation of In- and Zr,Ca-substituted YIGs by 'in situ' powder XRD

A. Preisinger, K. Mereiter and L. Petrás

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Kinetics of muscovite dehydroxylation in micaglass compositions

T. I. Shishelova, I. V. Chilikanova, T. I. Sozinova and A. V. Shcherbakov

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Phase transitions into superprotonic state in some hydrogen sulphates, selenates and phosphates

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'In situ' investigation of the intermediate state formed at the NiO/MoO₃ reaction interface

B. P. Tolochko, A. V. Bessergenev, N. Z. Lyakhov, V. Boldyrev, S. V. Chernov and S. G. Nikitenko

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Microscopic, etching and X-ray studies on doped CdI₂ dendritic single crystals

G. C. Trigunayat and B. Kumar

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Influence of defect structure on the α→β transformation kinetics in Pd–H systems

M. A. Knyazeva, A. A. Katsnelson, A. I. Olemskoi and G. P. Revkevich

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Mossbauer and X-ray investigations of the kinetics and mechanism of M-type barium hexaferrite formation from hydroxide–carbonate precipitates

V. A. Yelshanskii, A. G. Belous and Y. V. Pashkova

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Precursor fluctuations of martensitic phase transition on metallic sodium

H. Abe, R. J. Matsuo, K. Ohshima, M. Imai and K. Kakurai

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Structure investigations of Rb₂Li₄(SeO₄)₃·2H₂O crystals

W. Bronowska and A. Pietraszko

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Recent advances in semi-phenomenological approach to statistical description and stability analysis of crystal structures

V. N. Bugaev and R. V. Chepulskii

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The monoclinic–tetragonal phase transition and tunnel ion ordering in caesium-substituted barium magnesium hollandites

R. W. Cheary and N. Maharaj

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The structure of β-Cs₃(HSO₄)₂(H₂PO₄)

S. Faulk, P. Calkins and S. M. Haile

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Phase transition between microemulsion and lamellar phase in amphiphilic systems

S. K. Ghosh, J. Matsuba, S. Komura, H. Seto, T. Takeda and M. Hikosaka

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X-ray studies of magnetically interesting compounds in the temperature range 10–300 K

A. E. Goeta, R. C. B. Copley, C. W. Lehmann and J. A. K. Howard

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Thallium(I) orthofluorberillate

C. González-Silgo, C. Ruiz-Pérez, M. L. Martínez-Sarrión, L. Mestres and X. Solans

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Phase transitions in hydrogen-bonded inorganic acids

S. M. Haile, P. Calkins, S. Fu, S. Faulk and G. Staneff

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Structural transformation of a [Cd(CN)₂]_n framework

M. J. Hardie, B. F. Abrahams, B. F. Hoskins, R. Robson and G. A. Williams

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Two new pseudo-isotypic zirconium nitrilotriacetates of guanidinium and nickel

E. Haussühl, G. Giester and E. Tillmanns

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Polymorphism of TlH₂PO₄ and TlD₂PO₄

G. Heger, S. Rios, W. Paulus, A. Cousson, M. Quilichini, M. Becker and J. Glinnemann

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Perovskite-type (Nd_x,Sm_1−x)AlO₃: effects of ionic radii and temperatures on the structure change

H. Horiuchi, A. Yoshikawa, A. Saito, T. Shishido, M. Tanaka and T. Fukuda

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Optical instability in incommensurate barium sodium niobate crystal

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Diffraction and phenomenological studies of the phase transition in the molecular crystal [P(CH₃)₄]₂ZnBr₄

S. Jerebets and R. D. Willett

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The thermal macrostructure changes in the natural phlogopite crystals

V. M. Kalikhman, G. A. Kuznetsova and M. S. Metsik

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Isomorphic phase transitions in Li_xV₂O₅ intercalation compounds

H. Katzke and W. Depmeier

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Twin domains and phase transitions of KLiSO₄

H. Klapper, Th. Hahn, Ch. Scherf, H. M. Park and G. Heger

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Anomalous of structure and phase transition of perovskites

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Phase transition in ditetramethylammonium hexafluoroplatinate(IV)

H. Küppers, C. Bruhn and W. Preetz

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Magnetic properties and structure of new compound dichlorobis(1-allyltetrazole)cobalt(II)

L. G. Lavrenova, V. N. Ikorskii, A. V. Virovets, N. V. Podberezskaya, G. A. Bikzhanova and S. V. Larionov

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Crystal structure and magnetic properties of R(T,M)₁₃ compounds

J. Liang, G. Rao, W. Tang, Y. Zhao, Y. Guo and X. Yan

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Deformation-induced martensitic phase transformation in stainless steel type of 304L

P. Liu, L. Jiang and Å. Roos

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Precipitation of σ-phase in duplex stainless steel Zeron-100

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Equation of state and pressure-induced phase transition in AlN: results from in situ X-ray and Raman scattering studies

M. H. Manghnani, L. C. Ming and V. Vijaykumar

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Diffuse X-ray scattering and phase transitions of urea inclusion compounds

S. C. Mayo and T. R. Welberry

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Second-order phase transitions as studied by real-time transmission, diffraction and SANS

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Ammonium dynamics and structural phase transition in K_1−x(NH₄)_xI mixed salts at 10 K

I. Natkaniec and L. S. Smirnov

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Structural changes in successive phase transitions of pyridinium tetrafluoroborate

T. Nemoto, Y. Ohashi, M. Hanaya and M. Oguni

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Reversible phase transition in crystals with supramolecular aggregate

I. Pascual, L. R. Falvello, A. J. Schultz and D. M. Young

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X-ray diffraction studies of Pd–Cu powders

J. Pielaszek, Z. Kaszkur and B. Mierzwa

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Phase transition in the Cs₂XBr₄ (X = Hg, Cs)

C. B. Pinheiro and N. L. Spezial

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Phase transitions in Al–Zn alloys

S. Popovic, B. Grzeta, H. Löffler and G. Wendrock

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Ferroelastic phase transition in CaTiO₃ perovskite

S. A. T. Redfern

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Low-temperature phase of t-butyl chloride (tBC): crystal structure and nomenclature

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Elastic properties of selected minerals and decagonal quasicrystals at high temperatures. Applications of the RPR-method

J. Schreuer and W. Steurer

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Neutron powder diffraction study of the high-pressure Jahn–Teller switch in (ND₄)₂[Cu(D₂O)₆](SO₄)₂

A. J. Schultz, H. Stratemeier, M. A. Hitchman and C. J. Simmons

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Molecular rearrangements in tetramethylammonium tetrafluoroborate (TMT)

T. M. Schultz and F. K. Larsen

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Structures and phase transitions of halogenometallates(II) of germanium and tin with monovalent countercation

B. R. Serr, G. Wittenburg, D. G. Ebling, H. W. Rotter and G. Thiele

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Pressure-induced modulated phases of [N(CH₃)₄]₂CuCl₄

S. Shimomura, N. Hamaya, Y. Fujii, T. Fukui and H. Terauchi

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Low-frequency dielectric dispersion and pyroeffect at phase transition for monoclinic tellurium acid ammonium phosphate crystal

I. A. Smirnova, N. N. Bolshakova and N. D. Gavrilova

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Neutron diffraction study of the martensitic phase transformation in In–Tl alloys

H. G. Smith, J. L. Robertson, T. R. Finlayson and M. Wuttig

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Raman spectra investigation of temperature phase transitions in alkali metal perchlorates

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Ammonium fluoroberyllate: neutron structure in two phases

R. C. Srivastava, W. T. Klooster and T. F. Koetzle

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The structure of Cs₅(HSO₄)₃(H₂PO₄)₂

G. Staneff, P. Calkins, S. Fu and S. M. Haile

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Fluctuations in the structure of calcite

I. P. Swainson, M. T. Dove, M. J. Harris and M. E. Hagen

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X-ray study of the incommensurate phase of LiKSO₄ under uniaxial pressure

D. R. Ventura, N. L. Speziali and M. A. Pimenta

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Influence of the defectiveness of the crystal lattice on the metamagnetic phase transitions in Cd_1−xCu_xCr₂S₄ (where x ≤ 0.2) and ZnCr_2−xIn_xSe₄ (where x ≤ 0.14)

J. Warczewski, J. Krok-Kowalski and T. Grón

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Phase transitions in [Me_4−nEt_n]₂MX₄ salts

R. D. Willett, Y. Fujii, R. Nicholson and M. Wei

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Thermo-optic studies of structural phase transitions in crystals of the KTiOPO₄ family

M. N. Womersley and P. A. Thomas

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Disorder and the mechanism of phase transition of [(CH₃)₂CHNH₃]₂BiCl₅

J. Zaleski and A. Pietraszko

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Structural transitions in nickel perchlorate hexahydrate

S. Ghosh, M. Mukherjee and S. Ray

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Martensitic transformation in Au-49.5at% Cd alloy

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MS-Windows software for space groups: application to domain structure symmetry analysis

B. L. Davies, R. Dirl, V. Janovec and Z. Zikmund

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Hierarchical microstructure in structural phase transitions

A. Saxena, S. R. Shenoy, A. R. Bishop, Y. Wu and T. Lookman

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Phase coexistence in proton glass

V. H. Schmidt, Z. Trybula, N. J. Pinto and S. M. Shapiro

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Structural phase transitions in ionic molecular solids

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Reconstructive transformations in crystal structures

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X-ray study of order–disorder phase transitions

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Structural changes in single crystals by time-of-flight neutron Laue diffraction

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NMR of phase transitions in semidisordered crystals

R. Blinc and J. Stefan

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Phase transitions in proton-conducting Me₃H(AO₄)₂

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Structure determination at high pressures from molecular dynamics simulations

S. K. Sikka, S. M. Sharma and R. Chidambaram

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Normal mode analysis from elastic diffraction data is possible! Why and how?

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Modelling the thermal motion of freely rotating molecules

R. T. Downs and L. W. Finger

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Lattice-dynamical calculation of atomic displacement parameters (ADPs)

C. M. Gramaccioli, F. Demartin and T. Pilati

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Analysis of anisotropic displacement parameters in a serine protease

Th. R. Schneider and F. Parak

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Anisotropic vibrational analysis of the small protein crambin

M. M. Teeter and B. Stec

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Recommendations on ADP nomenclature and usage

K. N. Trueblood

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Neutron scattering studies of the distribution and anharmonic vibration of Ag⁺ and Cu⁺ in fast-ion conductors

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Crystallographic analyses of the flexibility of the P—O—C ester link in phosphoenolpyruvates

T. P. O'Connor Jr and R. H. Blessing

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Einstein versus Debye solid in the modelling of the Pa3 phase of acetylene

A. T. H. Lenstra, K. Verhulst and C. Van Alsenoy

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Towards a comprehensive model of hydrogen-bonding interactions: past results and future research projects

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Dynamic interaction observed in humidity-induced phase transitions of nucleosides and nucleotides

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Chemical control of intermolecular interactions in porphyrin-based host materials

C. E. Strouse and M. K. Byrn

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The N—H⋯phenyl(plane) interaction has all the persistence of a five-year-old in a candy store

S. Cameron, P. K. Bakshi, K. N. Robertson and O. Knop

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Packing relations in solid inclusions of novel roof-shaped hydroxy hosts

I. Csöregh and E. Weber

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Investigation of the solid-state crystal structures of conjugated rigid-rod compounds: preliminary attempts to correlate packing with liquid crystalline phase behaviour

A. J. Scott, W. Clegg, C. Dai, P. Nguyen, G. Lesley, F. Somera, M. P. Hirsch, N. J. Taylor, T. B. Marder, C. Viney and V. Chu

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Nitro oxygen⋯halogen interactions: a combined crystallographic database and ab initio molecular orbital study

V. J. Hoy, J. A. K. Howard, F. H. Allen, J. P. M. Lommerse and G. R. Desiraju

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C—H⋯O based solid-state supramolecular assembly: crystal structure of the 1:2 complex of tris(2-phenethyl)isocyanurate-1,3,5-trinitrobenzene

V. R. Thalladi, A. K. Katz, H. I. Carrell and G. R. Desiraju

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Hydrogen bonding in betaine:phenol cocrystals

G. Buczak, A. Katrusiak, M. Szafran and Z. Dega-Szafran

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Hydrogen-bond (HB) patterns around the picrate anion

P. Gilli, C. Pascard and L. Tchertanov

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Hydrogen bonding to aromatic pi systems

K. N. Robertson, P. K. Bakshi, T. S. Cameron and O. Knop

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Hydrates and hydrogen bonding: crystal chemistry of and with some selected acids and bases

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Directionality of non-bonded interactions in solvated molecular crystals

H. O. Aldas-Palacios and R. E. Davis

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Structures of some anthraquinone dyes

E. S. Alekseyeva, A. V. Yatsenko, V. A. Tafeenko and L. A. Aslanov

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Attractive edge-to-face aromatic interactions in a range of simple nitrones, oxaziridines and imines

J. F. Malone, D. R. Boyd, T. A. Evans, A. Smith, W. B. Jennings and W. O'Sullivan

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Orientational disorder of some organic molecular crystals studied by atom–atom potentials

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C—H⋯π interaction observed in complexes of surfactant molecules with aromatic compounds

K. Sawada, Y. Ohashi, N. Iimura and H. Hirata

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Influence of intermolecular interactions in the crystal phase on conformation of flexible di- and tetrahydropyrimidine rings

O. V. Shishkin and V. I. Shil'nikov

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A semi-empirical quantum chemical method to calculate the lattice energies of organic molecular crystals

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Optical resolution of DL-histidine through interactions with achiral glycolic acid

S. Suresh and M. Vijayan

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The influence of crystal packing on the molecular structure of main group element compounds

E. R. T. Tiekink and M. A. Buntine

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Influence of fluoro substitution on packing of styrylcoumarins and their photobehaviour in the crystalline state

K. Vishnumurthy, K. Venkatesan and T. N. Guru Row

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Crystal structures of TEMPO radicals showing ferromagnetic interactions

H. Yamamoto, H. Yoshikawa, M. Yasui, T. Ishida, T. Nogami and F. Iwasaki

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Crystal structures of copper complexes showing ferromagnetic interaction

M. Yasui, Y. Ishikawa, T. Nogami, T. Ishida and F. Iwasaki

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Ability of some specific natural structures to interact concurrently contrary to dioxin. ESR study

P. T. Vung, N. V. Tri, D. P. Thai, H. V. Mao and D. N. Lam

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Interrelating melting point, density, hydrogen bonding, molecular conformation and solubility in a pair of organic salts

N. Li, J. Luft, W. Pangborn, W. L. Duax and M. Perlman

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Conformational studies of vitamin D derivatives

K. Suwinska and A. Kutner

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Structural aspects of diastereomeric discrimination

E. J. Valente, C. Miller, G. Ruggiero and D. S. Eggleston

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Chirality in drug discovery research

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Second-harmonic generation studies of chiral organic salts

B. O. Patrick, B. Borecka-Bednarz, J. R. Scheffer, J. Trotter and A. Bree

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Ferroelectric switching, atomic displacements and piezoelectric moduli in CTA (CsTiOAsO₄) and KTP (KTiOPO₄)

J. Albertsson, K. Ståhl, J. C. Hanson, G. Svensson and R. Bolt

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Crystal growth and structure of 3-acetamido-4-N-cyclooctylaminonitrobenzene, a new organic material for nonlinear optics

C. Ruiz-Perez, J. González-Platas, A. C. Yanes, M. E. Torres and X. Solans

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Generalising the concept of optical resolution through co-crystallisation

K. Simon, Zs. Böcskei, K. Takács, A. Mravik, D. Kozma and E. Fogassy

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Solid-state chemistry of O-ethoxy-trans-cinnamic acid

M. A. Fernandes, C. B. de Koning and D. C. Levendis

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Solid-state photoisomerization of cobaloxime complex in different clathrate crystals

D. Hashizume and Y. Ohashi

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Solid-state photoisomerization of 4-buten-1-yl cobaloxime complexes

T. Yamada and Y. Ohashi

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Regioselective synthesis of 2-(1H)-piridones

E. García-Rodríguez, S. García-Granda, P. Yostos Cuesta, A. Alberola Figueroa and A. González-Ortega

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Dihydrodiazaphosphinines in the synthesis of molecules of biological interest

A. Gutiérrez-Rodríguez, R. Santiago-García, S. García-Granda, J. Barluenga, M. Tomás and K. Bieger

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Structural variations of sodium phenolate with different donor ligands

J. Sieler, M. Kunert and E. Dinjus

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The ideal crystal as a criterion of the accuracy for the approximate equations on the liquids

A. G. Balakchi and Yu. V. Agrafonov

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Pendellösung experiment of silicon at low temperatures

T. Eto, H. Naruoka, S. Nagao, Z. Lu, Y. Soejima and A. Okazaki

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Structural relationships in KH₂PO₄-type compounds

J. Glinnemann, M. Becker, T. Hahn and G. Heger

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Stress relaxation in silicon at low temperatures

A. Kohno, Z. Lu, Y. Soejima and A. Okazaki

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Lattice symmetry of silicon at low temperatures

K. Munakata, Z. Lu, A. Kohno, Y. Soejima and A. Okazaki

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Structural properties of silicon at low temperatures

A. Okazaki and Y. Soejima

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An investigation into new NLO phosphates

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Metallic zintl phases in rare earth metal trelides

J.-T. Zhao and J. D. Corbett

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Structural peculiarities of muscovite and phlogopite crystals at low temperatures

T. E. Moskovskaya, J. G. Timirgaleeva and O. V. Roskin

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Monte Carlo study of the behaviour of the Landau free energy and order parameter in the 3D-α⁴ model

S. Radescu, I. Etxebarria and J. M. Perez-Mato

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The use of zone control charts in quantitative X-ray powder phase analysis to insure quality control

J. N. Dann and H. O. Fassett

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Structure and disordering of the c(4×2) reconstruction of Ge(001) surfaces

S. Ferrer, X. Torrelles, J. Alvarez, V. H. Etgens, H. A. van der Vegt and P. Fajardo

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Maximum entropy determination of the electron distribution of the Si(111) 7×7 surface from X-ray and electron-diffraction data

C. A. M. Carvalho, A. Ghosh, I. K. Robinson and H. Hashizume

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Interface structure of Si(111) √3 × √3-Ag studied by grazing incidence X-ray diffraction

K. Akimoto, M. Lijadi, T. Susami and A. Ichimiya

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Defects in the reconstructed (111) and (−1−1−1) surfaces of InSb

H. Schulz, H. Vogler, H. L. Meyerheim and W. Moritz

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Structure analysis of CoSi₂/Si_1−xGe_x/Si(001) interfaces

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Ordered structures at the metal electrode–solution interface

C. A. Lucas, N. M. Markovic and P. N. Ross

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Scaling of submonolayer Cu islands grown on Cu(110)

D. A. Walko, K. L. Whiteaker and I. K. Robinson

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3-D structural analysis of Ag/Si(111) interfaces by X-ray diffraction

R. D. Aburano, H. Hong, J. M. Roesler, K.-S. Chung, H. Chen, T.-C. Chiang and P. Zschack

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Analysis of in-plane structures of the As-deposited Si surfaces using grazing-angle X-ray standing waves

O. Sakata, S. Kumano, N. Matsuki, Y. Tanaka, A. M. Nikolaenko and H. Hashizume

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A new method of the identification of crystalline–amorphous interfaces by quantitative evaluation of HREM images

N. I. Borgardt and B. Plikat

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Investigation of stored energy in TiN films by thin film diffraction

H. Wulff and C. Eggs

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The interfacial structure and the preferred orientation of layered perovskite SrBi₂Ta₂O₉ thin films grown on the Pt electrode

J. S. Lee, H. H. Kim, H. J. Kwon and S. B. Desu

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Correlation between surface and volume: a method of the crystal habitus description

A. M. Ivanov and Yu. M. Smirnov

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Particular singular faces in single crystals

A. I. Kolesnikov and Yu. M. Smirnov

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Field ion microscopic observation of Si–SiO₂ interface

M. Umeno, M. Tagawa, N. Ohmae and M. Miyanaga

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Influence of H₂-, O₂- and Ar-plasma on thin Al₂O₃ films

A. Quade, C. Eggs, H. Wulff and M. Schmidt

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Influence of argon beam irradiation at different temperatures on the structural properties of Cu/Fe bilayers

G. Echeverría, J. Desimoni, R. C. Mercader and G. Punte

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Roughness estimation of polycrystal metal surfaces under the ultra-high vacuum by X-ray glancing scattering

Y. Fujii, K. Yoshida, T. Nakamura and K. Yoshida

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Determination of interface roughness statistical parameters from angular spectra of X-ray diffuse scattering

A. V. Andreev, Yu. V. Ponomarev, Yu. Ya. Platonov and N. N. Salashchenko

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Etching kinetics of flux-grown rare earth aluminate crystals

K. Banzai, K. K. Sharma, P. N. Kotru and B. M. Wanklyn

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Magnetic depth profiles in strained nickel–iron thin films measured by polarized neutron reflectometry

F. Ott and C. Fermon

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Interface roughness in sputtered W/Si multilayers and related growth models

T. Salditt, T. H. Metzger, D. Lott and J. Peisl

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Study of Al–C multilayers using anomalous reflectivity and high quantum wells using resolution diffraction studies of multilayers

M. K. Sanyal, A. Datta, S. Banerjee, B. M. Arora, J. Basu, M. R. Mishra, T. Ohkawa, Y. Yamaguchi, O. Sakata and H. Hashizume

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Structure and magnetic properties in magnetic multilayers

Z. H. Mai, Y. S. Gu, G. M. Luo, M. L. Yan and W. Y. Lai

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Strain-induced macrosteps in (GaIn)As/Ga(PAs) superlattices grown on off-oriented GaAs substrates

C. Giannini, Y. Zhuang, L. Tapfer, T. Marschner and W. Stolz

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Water–interface structures on Cu(111) electrodes

I. K. Robinson, Y. S. Chu and A. A. Gewirth

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X-ray scattering from crystalline SiO₂ in the thermal oxide layers on vicinal Si(111) surfaces

T. Shimura, H. Misaki and M. Umeno

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Investigation of the roughness replication in multilayers by diffuse X-ray reflection

V. Holy, G. Bauer, A. Darhuber, J. Stangl and S. Zerlauth

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Focusing collimators for a microfocus X-ray source

U. W. Arndt, A. Inneman and L. Pina

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Determination of structure defects in mercury cadmium telluride multilayer materials

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Interface evolution after thermal treatment of tungsten/silicon multilayers

M. Jergel, V. Holy, Z. Bochnicek, E. Majkova, S. Lubya and R. Senderak

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The determination of crystal structure and texture parameters of polycrystalline thin films using multiple diffraction datasets

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Epsilon-gamma prime transformation in nitrided Fe and steel: structure characterization

P. S. Schabes-Retchkiman, G. Hinojosa and J. Oseguera

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Molecular dynamics studies of ultrathin metallic films growth

A. E. Moroz, A. A. Katsnelson and O. S. Trushin

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Microstructural studies of superconducting oxide thin films and multilayers

A. Vailionis, A. Brazdeikis and A. S. Flodström

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Liquid nitrogen effect on the morphology of PMMA thin films on YBCO

A. Malik, M. Atreyi, G. L. Bhalla and G. C. Trigunayat

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Deposition, molecular organization and functional activity of IgG Langmuir films

A. Tronin and T. Dubrovsky

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Tectonic setting and characters of Ras Shait podiform chromite, Eastern Desert, Egypt

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Interface roughness correlations in Ge/Si/Si_1−xGe_x quantum well heterostructures

Y. Yamaguchi, P. M. Reimer, J. H. Li, O. Sakata and H. Hashizume

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Stucture of ultrathin films Ni/Au(001) and Au/Ni(001): a study using molecular dynamics simulation

O. V. Lysenko, A. A. Katsnelson, A. E. Moroz, V. S. Stepanyuk and O. S. Trushin

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Epitaxial water film structure on the mica crystal surface

M. S. Metsik, A. B. Kiselev and L. A. Shcherbachenko

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Interfacial roughness in (111)-oriented Si/Si_1−xGe_x multilayers

J. H. Li, Y. Yamaguchi, P. M. Reimer, O. Sakata and H. Hashizume

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Structure of indium nitride thin films prepared by RF-magnetron sputtering

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Structure of austenitic Fe–Ni alloys surface after laser heating

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Effects of anisotropy and gyrotropy of crystal film on characteristics of polarized light

B. V. Nabatov, A. F. Konstantinova and A. Yu. Tronin

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Statistical approach: to coherent diffraction from a perfect crystal with a randomly disturbed layer

I. A. Vartanyants and J.-P. Guigay

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Diffuse X-ray scattering from rough interfaces in sputtered W/Si multilayers

T. H. Metzger, T. Salditt, D. Lott and J. Peisl

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X-ray multilayer mirrors with wide angular range

V. A. Kalnov, V. V. Protopopov, K. A. Valiev and R. M. Imamov

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Effect of bordering water films on structural properties of mica-composition materials

L. A. Sherbachenko, B. S. Guterman, Y. V. Ezhova and L. F. Kuznetzova

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An enhanced technique for the model-independent reconstruction of strain distributions in crystals with nanometre spatial resolution

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Thin films structure of the fluorine-containing oligomers

A. E. German, V. A. Struk, E. V. Ovchinnikov, A. F. Sen'ko and P. E. Troichanskaya

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Structure of SiC films grown on Si(111) and (110) substrates by solid-source molecular beam epitaxy

U. Kaiser, A. Fissel, W. Richter, S. B. Newcomb and W. M. Stobbs

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Grazing incidence X-ray diffuse scattering from surfaces and interfaces

B. K. Tanner, I. Pape, T. P. A. Hase and M. Wormington

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Surface layering of a magnetic fluid studied by X-ray reflectivity

I. Takahashi, Y. Tsukahara, K. Akimoto and A. Ichimaya

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Inverting specular neutron reflectivity

C. F. Majkrzak and N. F. Berk

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Back-reflection X-ray standing wave studies of adsorbates on metal surfaces

L. E. Berman, D. Heskett, X. Shi, C. Su, P. Xu, J. Warner, C. Kao and M. J. Bedzyk

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Depth-selective analysis of buried semiconductor layers using X-ray grazing incidence diffraction

U. Pietsch and D. Rose

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Measurements of atomic ordering in roughness with grazing incidence X-ray diffraction

S. A. Stepanov, E. A. Kondrashkina, M. Schmidbauer, R. Köhler, U.-J. Pfeiffer, T. Jach and A. Yu. Souvorov

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Correlated roughness information from diffuse X-ray scattering of stepped surfaces

P. M. Reimer, Y. Yamaguchi, J. H. Li and H. Hashizume

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In situ X-ray reflectivity measurement of thin film growth

C.-H. Lee and S.-Y. Tseng

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Organization of oriented layers of Zn^II, Cd^II, Hg^II diethyldithiocarbamatoiodine complexes

S. A. Gromilov, A. V. Ivanchenko, S. A. Prokhorova and S. M. Zemskova

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Surface-diffracted waves of grazing incident X-rays with the periodically modulated amplitude

A. P. Bezirganyan and S. E. Berziganyan

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X-ray non-specular scattering in multilayer structure with non-uniform interfaces

I. R. Prudnikov, A. V. Andreev and Yu. V. Ponomarev

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The effect of the growth temperature on the structure of Co–Cr–Co trilayers

T. P. A. Hase, I. Pape, B. K. Tanner, S. M. Thompson, S. M. Jordan and J.-J. Freijo

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X-ray reflectivity and diffuse scattering study of roughness anisotropy in AlAs/GaAs superlattices

E. A. Kondrashkina, S. A. Stepanov, R. Opitz, M. Schmidbauer, R. Köhler, R. Hey and M. Wassermeier

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Structural and some physical properties of thin films of transition metal oxides

A. S. Avilov, N. I. Levshin and V. I. Khitrova

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The X-ray study of the YSZ/MgO(001) interface: the dynamical approach

T.-S. Gau and S.-L. Chang

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Interaction between X-rays and surface acoustic waves: application to the space–time modulation of an X-ray beam

M. Brunel, D. Roshchupkin, I. Schelokov and R. Tucoulou

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Surface activity and dielectric properties of foliated silicates

O. V. Roskin, T. E. Moskovskaya and G. T. Timoshenko

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Interface structure of GaSe/Si(111) studied by X-ray standing waves

B. Capelle, J. F. Petroff, J. C. Boulliard, A. Koebel and Y. Zheng

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New routes to the structure of disordered polymers through coupled scattering and modelling

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The crystallization of aperiodic polymer chains

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X-ray fibre diffraction studies of structural variation in polymer materials

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On the structure of a new nylon: poly(2-methylpentamethylene terephthalamide)

F. Brisse and A. Héroux

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Neutron structure analysis of poly(vinyl alcohol)

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Structural studies on nylons with more than one direction of hydrogen bonds

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X-ray analysis of the self-assembling tubular structures formed by polymethacrylates with highly tapered side groups

J. Blackwell, S. N. Chvalun, Y. K. Kwon and V. Percec

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Diffraction studies of polysilanes and polysilaethylenes

B. L. Farmer, D. B. Holt, E. K. Karikari and L. V. Interrante

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Electron crystallographic analysis of poly(p-oxybenzoate): a combined model and direct phasing approach

D. L. Dorset, J. Liu, B.-L. Yuan and P. H. Geil

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Kevlar fibres in thermal environments

K. Vijayan and R. V. Iyer

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Crystal structure and crystal transition of poly(tetramethylene succinate)

Y. Ichikawa, H. Kondo, K. Noguchi and K. Okuyama

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Ultra-fine structures in crystalline polymers from high-resolution TEM

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Structure determination by electron crystallography using both maximum entropy and simulation approaches

I. G. Voigt-Martin

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Electron diffraction in polymer crystal structure analysis: some recent examples

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The role of direct methods in polymer crystallography

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Model fitting: a criterion for polymer structure identification after direct methods

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Full-pattern parameterization of two-dimensional diffraction and scattering data from oriented polmers

N. S. Murthy, K. Zero and D. T. Grubb

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The progress of full reciprocal space X-ray scattering analysis in studying the oriented polymers

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Measuring disorder in polynucleotide fibers

W. J. Stroud and R. P. Millane

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Structural base of assembly and polymorphism of bacterial flagellar filament

K. Namba, Y. Mimori, I. Yamashita and F. Vonderviszt

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Refinement of the F-actin structure against fiber diffraction data

M. M. Tirion, K. C. Holmes and M. Lorenz

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Structure of muscle in the relaxed state and rigor labelled with myosin S-1: implications about force production

J. J. Harford, L. Hudson, R. Denny and I. M. Squire

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Structural diversity in filamentous bacteriophages

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Molecular dynamics refinement without deconvolution in fiber diffraction of biological polymers

G. Stubbs and H. Wang

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Structure analysis of hydrated chitosan by utilizing imaging plate

K. Okuyama, K. Suzuki, Y. Obata, T. Yui and K. Ogawa

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X-ray diffraction evidence that crossbridges weakly bound to actin in muscle are disordered (nonstereospecific binding)

L. C. Yu, S. Xu, S. Malinchik, T. Kraft and B. Brenner

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Background correction of neutron and X-ray fiber diffraction data

M. Ivanova and L. Makowski

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The development of instruments for small-angle scattering of neutrons during the last decades

T. Springer, B. Alefeld and D. Schwahn

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Simultaneous SAXS and light scattering measurements of polymer crystallization and phase transitions

R. S. Stein, Y. Akpalu, H. G. Zachmann, J. Cronauer and S. Groth

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Development and applications of microbeam small-angle scattering using synchrotron radiation

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Imaging of small-angle scattering for enhanced radiography

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ORNL double-crystal ultra small-angle neutron scattering facility

M. Agamalian, R. Triolo and G. D. Wignall

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Time-resolved SAXS technique for studying block copolymers under shear deformation

S. Suehiro, K. Saijo, T. Seto, M. Kakiuchi, T. Hashimoto and Y. Amemiya

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Scattering studies of fractal scaling in polymer blends

G. Beaucage and S. K. Sukumaran

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Small-angle scattering with polarized neutrons: a new spectrometer at ORPHEE

H. Glättli, M. Eisenkremer, C. Fermon and M. Pinot

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Wide-bandpass 'multilayer' monochromator for small-angle X-ray scattering and fiber diffraction studies on biological systems

H. Tsuruta, T. C. Irving, H. W. Tompkins, Z. U. Rek, S. Brennan and K. O. Hodgson

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Determination of 3D viral structure from solution X-ray scattering

Y. Zheng, P. C. Doerschuk and J. E. Johnson

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Polarized neutron scattering from polarized nuclear spins

H. B. Stuhrmann, B. van den Brandt, P. Hautle, J. A. Konter, S. Mango, T. O. Niinikoski, M. Schmitt, R. Willumeit, J. Zhao and K. H. Nierhaus

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Crystals of defects in chiral thermotropic mesogens: periodic arrays of twist grain boundaries

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Automated scattering curve modelling of plasma multidomain proteins

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Eye lens transparency or cold cataract: a question of protein interaction potentials

A. Tardieu, M. Malfois, F. Bonneté and L. Belloni

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New directions in muscle diffraction using insertion device beamlines at synchrotron sources

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Microphase separation in bulk and surface-adsorbed binary alkane systems

E. P. Gilbert, P. A. Reynolds and J. W. White

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Structure of polymer-like micelles: SANS and Monte Carlo simulation studies

J. S. Pedersen, G. Jerke, M. Laso and P. Schurtenberger

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Antimicrobial peptides in model membranes studied by in-plane neutron scattering

D. L. Worcester, K. He, S. J. Ludtke, W. T. Heller, T. Harroun and H. W. Huang

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MSANS studies of an anisotropically scattering microstructure

A. J. Allen, J. Ilavsky and G. G. Long

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DNA and PLPC concentrated solutions: a SAXS study of interacting systems

L. Q. Amaral, V. Castelletto and R. Itri

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Small-angle X-ray scattering of zeolite-supported Pt catalysts: anchoring and framework effects

H. Brumberger, J. Goodisman and R. Ramaya

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Temperature–composition phase diagram and mesophase structure characterization of the monovaccenin/water system

M. Caffrey and H. Qiu

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Small-angle neutron scattering microstructural investigation of two martensitic steels for nuclear applications

R. Coppola, F. Fiori, E. A. Little and M. Magnani

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Structural dynamics of creatine kinase

M. Forstner, M. Kriechbaum, P. Laggner and T. Wallimann

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Porod scattering of neutrons by an anisotropic microstructure

G. G. Long, J. Ilavsky and A. J. Allen

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SAXS investigation of silica aerogels obtained from a single-step process boosted by fluorine anions

L. Pajak and A. Jarzebski

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Determination of the microstructure of hydrating cement paste by small-angle neutron scattering

T. M. Sabine, W. K. Bertram, L. P. Aldridge, F. Eichhorn and I. Joffe

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Evidence of associated states during refolding of cytochrome c

D. Segel, S. Seshadri, H. Tsuruta, A. L. Fink, K. O. Hodgson and S. Doniach

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Time-resolved solution scattering studies on a mutant version of E. coli aspartate transcarbamoylase

H. Tsuruta, D. P. Baker, T. T. Tibbitts, S. C. Pastra-Landis, P. Vachette and E. R. Kantrowitz

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Describing orientation texture in small-angle scattering

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2-D small-angle X-ray scattering patterns of colloids and photonic colloidal crystals

M. Megens, W. L. Vos, C. van Kats and P. Bösecke

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High-resolution high-luminosity techniques for neutron scattering based on bent crystal monochromators

M. Popovici, W. B. Yelon and R. R. Berliner

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Polycapillary optics for neutrons and X-rays

D. F. R. Mildner, H. H. Chen-Mayer, R. G. Downing, V. A. Sharov and Q. F. Xiao

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Secondary extinction of X-ray and neutron diffraction in mosaic crystals

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Composite germanium crystals with anisotropic mosaic as a focusing monochromator for neutron powder diffraction

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Neutron Laue diffraction with laser-read image plates

C. Wilkinson, F. Cipriani, J. C. Castagna, P. Oleinek, M. Keller, C. Bon and M. S. Lehmann

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Transmission polarizer for neutron diffraction

V. Nunez and C. F. Majkrzak

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Rapid suppression and modulation of the diffracted beam in single crystal excited by ultrasound

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Experimental ways of study of atomic motion in oxides of transition metals

D. A. Kovtun, A. P. Kovtun, V. P. Krasnolutskiy, M. F. Kupriyanov and A. P. Naumov

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Studies of processes of diffraction of high-monochromatic gamma-radiation in real single crystals

A. Kurbakov and A. Sokolov

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Study of loss in absorption of X-rays in thin natural diamond crystals around Laue diffraction maxima

K. Lal, S. Niranjana, N. Goswami and A. R. Verma

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Laboratory-based diffraction signal enhancement by the use of polycapillary X-ray optics

C. A. MacDonald and W. M. Gibson

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On the X-ray diffraction by perfect absorbing crystals

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Observation of phase change of X-ray polarizability by the rocking curves in the Bragg case

R. Negishi, T. Fukamachi, S. M. Zhou, Z. C. Xu, M. Yoshizawa, I. Matsumoto, T. Sakamaki, T. Kawamura and T. Nakajima

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Polycapillary X-ray optics for macromolecular crystallography

S. M. Owens, J. B. Ullrich, I. Yu. Ponomarev, Q.-F. Xiao, D. Carter, R. C. Sisk and W. M. Gibson

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X-ray holography with atomic resolution

M. Tegze and G. Faigel

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Resonant scattering: tensors of higher rank and theta dependence

D. H. Templeton and L. K. Templeton

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Convergent-beam macromolecular crystallography using polycapillary X-ray optics

J. B. Ullrich, S. M. Owens, Q.-F. Xiao, I. Yu. Ponomarev, D. Carter, R. C. Sisk and W. M. Gibson

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Traverse pattern of defects in the Bragg case

T. S. Uragami, H. Kobayashi and D. Orii

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A phenomenological modelling for the asymmetric intensity profiles of spatially oscillating X-ray Moiré fringes

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Analysis of single-crystal diffraction profiles, theory and experiments

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X-ray angular scanner and its application to X-ray imaging

V. V. Protopopov

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Neutron and X-ray scattering studies of thin film alloys and multilayers

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Neutron diffraction studies of hybridization and anisotropy in uranium intermetallic compounds

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Neutron and X-ray scattering studies of the spin-Peierls transition in CuGeO₃

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High-energy X-ray magnetic scattering: a new technique

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Study of orbital and spin magnetization densities in magnetic materials

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The first measurements of a pure magnetic powder reflection with X-rays

R. J. Cernik, S. P. Collins, D. Laundy and C. C. Tang

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Characterisation of the Néel state in Zn- and Ni-doped CuGeO₃

S. Coad, J.-G. Lussier, D. McK. Paul and D. F. McMorrow

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Antiferromagnetism in the ternary carbides Tb₂Cr₂C₃, Ho₂Cr₂C₃ and Er₂Cr₂C₃

M. Reehuis, N. Stüßer, K. Zeppenfeld and W. Jeitschko

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Crystallographic analysis of magnetic structures

A. Santoro and Q. Huang

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Magnetic ordering of the UCu_2−xGa_2+y system determined by neutron diffraction

N. Stüßer and Z. Zolnierek

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Neutron inelastic scattering on ultrasonic excitations in silicon and graphite

E. Iolin, B. Farago, F. Mezei and E. Raitman

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Anisotropy of anomalous scattering: new experimental evidence

A. Kirfel and T. Lippmann

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Inelastic X-ray scattering investigation of electron correlations in aluminum

B. C. Larson, J. Z. Tischler, E. D. Isaacs, P. Zschack, A. Fleszar and A. G. Eguiluz

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Anisotropy of anomalous scattering: investigation of polarized absorption by fluorescence measurements

T. Lippmann, A. Kirfel and K. Fischer

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Resonant Raman scattering: spectroscopy and crystallography

C. J. Sparks and G. E. Ice

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Phase-contrast imaging with hard X-rays

S. W. Wilkins, T. J. Davis, D. Gao, T. Gureyev, A. Pogany and A. W. Stevenson

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Diamond phase plates for X-ray circular and linear polarimetry at the ESRF

C. Giles, C. Malgrange, J. Goulon, F. de Bergevin, C. Vettier, A. Fontaine, E. Dartyge, S. Pizzini, F. Baudelet, G. Grubel, L. Varga and A. Freund

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Separation of observed integrated intensities into coherent and incoherent components

T. Takama, T. Nishide and A. Onodera

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Geometry of single crystal-plane scattering in dynamical theory of X-ray diffraction

D. S. de Vasconcelos, W. A. Keller and M. Urbanski

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The effect of Pendellösung oscillations on three-beam diffraction profiles

K. Hümmer and E. Weckert

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The study of the Brillouin zones by means of the Kikuchi patterns

R. K Karakhanyan, P. L. Aleksanyan and S. E. Bezirganyan

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Absorption in the model of self-consistent X-ray scattering

W. A. Keller and D. S. de Vasconcelos

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Advantages of X-ray reflectrometry experiments using Göbel mirrors

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Control of X-ray diffracted and X-ray fluorescence beams (transmission of speech)

M. A. Navasardian, R. Ts. Gabrielian and V. P. Mkrtchian

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Screening for crystallization conditions – lessons learned from 101 macromolecules

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Polythermal screening and production methods for macromolecular crystallization

G. T. DeTitta, D. M. Dembik, W. A. Pangborn and J. R. Luft

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Salt influence on protein solubility and crystallization

A. Ducruix, P. Retailleau and M. Ries-Kautt

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Important parameters for RNA crystallogenesis

J. D. Ng, B. Felden, G. Keith, P. Dumas, P. Brion, A. Dietrich-Théobald, C. Florentz and R. Giegé

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Growing protein crystals by hook or by crook: from molecular biology to lipids

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The relation between different polymorphic modifications of rhamnogalacturonan acetylesterase

A. B. Gjerlov and S. Larsen

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The polyethylene glycol (PEG) positive effect in protein crystallization

Q. Han and S.-X. Lin

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Protein crystal seeding studied by phase diagrams

Q. Han and S.-X. Lin

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Crystallization of cyclomaltodextrin glucanotransferase from Bacillus circulans var. alkalophilus

I. Kuranova, P. Mattsson and T. Korpela

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Progress work on the crystallisation of B800–820 light-harvesting complexes

K. McLuskey, N. W. Isaacs, R. J. Cogdell, S. M. Prince and A. A. Freer

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Crossover of lysozyme aggregates between super- and under-saturated states in aqueous solution

N. Niimura, M. Ataka, I. Tanaka, Y. Minezaki and Y. Karasawa

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Defect generation during crystal growth

J. P. van der Eerden, E. A. Huitema, M. Vlot and J. Huinink

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New data on defect-assisted growth mechanisms

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Fast growth from solutions: mechanisms and defects

L. N. Rashkovich, I. V. Alexeev and J. De Yoreo

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Surface diffusion and incorporation of group III atoms during III–V MBE

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Real-time monitoring of chemical vapor deposition processes: effects of pressure and flow

K. J. Bachmann, N. Dietz, A. Miller, C. Höpfner, J. S. Scroggs, H. T. Tran, G. Kepler, K. Ito and H. T. Banks

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In situ STM study of the Ge on Si molecular beam epitaxy

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Mechanisms of striation formation during growth of KDP family crystals

I. L. Smolsky, A. E. Voloshin and E. B. Rudneva

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Periodic roughening and faceting growth in two-dimensions

X.-Y. Liu, M. Wang and N.-B. Ming

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Crystallization rate minima in ultra-long n-alkanes

E. Boda, G. Ungar and A. Keller

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Fractal crystallization of bile components and its role in the formation of gallstones

Ya. Hanitkevych, V. Dyakiv, S. Malinich and R. Turchak

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Crystallogenesis of dissipative structures

V. A. Petrovsky, S. A. Troshev, A. S. Maltsev and O. Yu Shilova

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Experimental and numerical modelling of the crystal growth in porous media

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Genesis of natural diamonds according to the data of experimental investigations

M. I. Samoilovich, V. A. Petrovsky and Yu. A. Shilov

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Instability of faceted crystals in two dimensions

M. Wang, C. Sun and N. Ming

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Models of growth zoning in crystals of solid solutions

P. Azimov and A. Shtukenberg

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Anomalous birefringence in alums isomorphic mixtures

A. Shtukenberg, O. Kovalev and Yu. Punin

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Polycomponent oxide crystals: growth and application

A. Pajaczkowska, A. Gloubokov, P. Reiche and R. Uecker

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Low-frequency vibrational control of crystal growth from melt

E. V. Zharikov, A. Z. Myaldun, A. I. Prostomolotov and N. A. Verezub

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Liquid-phase epitaxy of HT_c superconductors

P. Görnert, A. Aichele, S. Bornmann and C. Dubs

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Growth and characterization of C₆₀ and C₇₀ crystals

K. Kojima and M. Tachibana

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Crystal growth and characterization of NLO-active organic inclusion compounds

J. Hulliger, O. König and V. Kramer-Hoss

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Growth and characterization of (Y,Nd)Al₃(BO₃)₄ and (Y,Gd)Al₃(BO₃)₄ crystals

N. I. Leonyuk, E. V. Koporulina, E. L. Belokoneva and Yu. V. Titov

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A new flux for the rapid growth of potassium titanyl phosphate (KTiOPO₄) single crystal

M. T. Sebastian, S. Suma and N. Santha

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Growth kinetics of protein single crystals in the gel acupuncture technique

A. Moreno, J. M. Garcia-Ruiz and M. Soriano-Garcia

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Hydrothermal growth and twinning of gallium phosphate crystals

O. V. Zvereva and L. N. Demianets

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Single-crystal growth of Sr₂RuO₄ by laser-heated pedestal growth (LHPG)

Y. P. Mascarenhas, D. Reyes Ardila, M. R. B. Andreeta, S. L. Cuffini, A. C. Hernandes and J. P. Andreeta

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Regeneration growth of some hexagonal (trigonal) crystals under hydrothermal conditions

L. N. Demianets

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World-Wide Web access to the Biological Crystallization Database

G. L. Gilliland, M. Tung and J. E. Ladner

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Electrochemical crystal growth and characterization of the ionic conductor K_1−xBa_xBiO₃

P. D. Han, S. R. Wilson, Y. G. Gao, A.H.-J. Wang and D. A. Payne

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Growth of α-Al₂O₃ bicrystal by Bridgman method

E. E. Kov'ev, B. M. Allaudinov, M. Yu. Kupriyanov and S. N. Polyakov

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Crystal growth and X-ray structure determination of a series of biologically interesting compounds

J. M. Moloney, J. A. K. Howard, R. Cochlin and W. J. Feast

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The research MBE system with two mutually synchronized modulated molecular beams

A. N. Sen'ko, Yu. A. Gel'man, A. A. Chernov, F. Sen'ko and Yu. M. Dymshits

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Synthesis, structure and properties of Ba₂Cu₃Cl₂O₄

Z. Zou, H. Horiuchi, K. Oka and Y. Nishihara

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Determination of the crystal growth units by grazing incidence X-ray diffraction (GIXD) and AFM

D. Gidalevitz, R. Feidenhans'l and L. Leiserowitz

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Interdigitated chiral architectures at air/liquid interface

I. Kuzmenko, R. Buller, M. Lahav, L. Leiserowitz, K. Kjaer and J. Als-Nielsen

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Morphology control per computer: present and future

F. J. J. Leusen

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The design of lattices from DNA branched junctions: principles and problems

N. C. Seeman, J. Qi, X. Li, X. Yang, B. Liu and H. Qiu

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Chains, planes and frames – how the dimensionality of hydrogen-bonded or coordination polymer networks influences crystal morphology

M. J. Zaworotko, D. C. MacQuarrie, P. Losier and C. V. K. Sharma

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Morphology of bulk RBCO single crystals

E. V. Sokol, L. P. Kozeeva and M. Yu. Kameneva

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Morphology of the explosive compound RDX

J. H. ter Horst, R. M. Geertman, A. E. van der Heijden and G. M. van Rosmalen

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Recent activities of space protein crystallization in China

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Multi-user facility for protein crystal growth in microgravity: results from PCAM and DCAM

D. C. Carter, P. D. Twigg, B. Wright, J. X. Ho, K. Lim, J. Chapman and T. Miller

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Protein crystal perfection and the crystal growth process

E. H. Snell, J. R. Helliwell, A. Cassetta, T. J. Boggon, N. E. Chayen, E. Weckert, K. Holzer, K. Schroer, V. Stojanoff and D. P. Siddons

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New criterion of quantitative estimate of the correlation of surface and volume processes during crystal growth from solution

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Segregation of Ce impurities in KMgF₃ single crystals

O. Bouzanov, M. D'Elena, C. Sanipoli and A. Scacco

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Crystal growth and chemistry of rare earth aluminium borates

D. Y. Choi, S. T. Jung and S. J. Chung

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Crystal growth of lithium triborate from Li₂OB₂O₃ solution

H. G. Kim, J. K. Kang and S. J. Chung

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Crystal structure and defects in Czochralski-grown LiCaAlF₆

D. Klimm, K. Seiranian and P. Reiche

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Melt growth and characterization of 2-methyl-4-nitroaniline crystals

M. Tachibana, M. Sato and K. Kojima

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The metal melt state effect on the monocrystal growth

N. M. Kochegura

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Growth and characterisation of CdI₂ doped and undoped PbI₂ crystals

A. Jain and G. C. Trigunayat

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The MBE growth of CdTe on the KCl (100) substrates

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Imitation of gems synthesized from crystallized glass

O. Yu. Shilova, V. A. Petrovsky and Yu. A. Shilov

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Growth and X-ray diffraction of BaTiO₃ thin films

Y. Yoneda, T. Okabe, K. Sakaue and H. Terauchi

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Step bunching on vicinal stepped faces growing from solutions and melts

A. A. Chernov, S. R. Coriell, B. T. Murray and G. B. McFadden

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Solvates, crystal structures, statistics, efficiency of crystallization and interactions with dissolved substances

M. L. Glowka and K. Kozlowska

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The role of mobile phases in crystallization of polymers: size dependence in phase transformation

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The development of the in situ observation of crystal growth: the relationship between linear and mass growth rates

L. V. Yashina, V. I. Dernovsky and V. P. Zlomanov

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Electron microscopy investigation of defects in SiC

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The determination and imaging of crystallographic texture using electron backscatter diffraction

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Quantum wire arrays investigated by means of high-resolution X-ray diffraction

L. Tapfer, L. DeCaro, C. Giannini and Y. Zhuang

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Synchrotron characterization of Zn-alloyed CdTe compound semiconductors processed in microgravity on STS 50 and 73

D. J. Larson Jr, M. Dudley, H. Chung and B. Raghothamachar

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An application of X-ray topography and diffraction: periodic inversion domains in nonlinear optical materials

Z. W. Hu and P. A. Thomas

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High-resolution diffuse X-ray scattering study of point defect clusters in natural diamond crystals

R. R. Ramanan and K. Lal

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Large-angle convergent-beam electron diffraction of grain boundaries

J. P. Morniroli

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Microtexture evaluation with Laue diffraction

F. Heidelbach, H. R. Wenk, D. Chateigner and F. Zontone

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Gamma-ray diffraction in dislocation-containing quartz single crystals

A. Sokolov and A. Kurbakov

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Influence of plastic deformation on point defect structure of NiAl compound studied with Laue method

H. Zhang, H. Werker, G. Zahn and P. Paufler

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X-ray diffraction study of the strains in the texture of Ca(OH)₂ at the transition zone of concrete

V. S. Haroutyunyan, P. J. M. Monteiro, H.-R. Wenk, E. S. Abovian and V. P. Mkrtchian

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Radiation defect structure in single crystals

G. N. Eritsian, N. E. Grigorian, A. A. Sahakian and S. K. Nickogosian

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Locking configuration of dislocations in A^IIIB^V single crystals

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Microstructure and texture of deformed zone by indentation

D. Z. Grabko, M. I. Medinskaya and Yu. G. Saltanovsky

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Real structure and anomalous optical properties of strontium titanate crystals

A. F. Konstantinova, L. A. Korostel' and S. N. Sulyanov

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Delineation of defects in flux-grown strontium hexaferrite crystals

P. N. Kotru, U. Raina, S. Bhat and F. Licci

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Investigation of the dislocation structure parameters in single crystals by X-ray method

S. V. Ulshin and O. P. Karasevskaya

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Simulation of synchrotron white beam topographs: application to the study of piezoelectric devices

Y. Epelboin, B. Capelle and J. Détaint

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A new light microscopy technique for examining birefringent materials

J. G. Lewis and A. M. Glazer

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X-ray characterization of texture in thin films using a two-dimensional position-sensitive detector

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Quantification of stacking faults in syndiotactic polystyrene single crystals

M. Tosaka, N. Hamada, M. Tsuji, M. Fujita and S. Kohjiya

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Development of rocking-curve method for polycrystalline materials

S. Ya. Betsofen

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X-ray methods to the characterization of thin coatings

S. Betsofen and L. Petrov

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On possibility of stoichiometry control for semiconductor A³B⁵ single crystals by an X-ray diffuse scattering method

K. D. Chtcherbatchev and V. T. Bublik

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Amorphization and molecular dissociation of SnI₄ at high pressures

N. Hamaya, K. Sato, K. Usui, K. Fuchizaki, Y. Fujii and Y. Ohishi

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High-pressure X-ray study of AlH₃ and AlD₃: anomalous isotype effect

S. P. Besedin and A. P. Jephcoat

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High-pressure–high-temperature studies of superionic conductors

S. Hull, D. A. Keen, N. J. G. Gardner and W. Hayes

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First principles calculations of crystal structures and transitions under high pressure

A. Mujica, R. J. Needs and A. Munoz

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High-pressure phase transitions of rare earth gallides REGa₂ (RE = Tm, Er, Ho)

S. Bräuninger, U. Schwarz, Yu. Grin and K. Syassen

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Neutron diffraction studies of the metallization process in RNiO₃ perovskites (R = rare earth)

M. Medarde, J. Mesot, S. Rosenkranz, P. Radaelli, W. Marshall, S. Klotz, J. S. Loveday, G. Hamel and S. Hull

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High-pressure structural studies of lanthanides

M. I. McMahon and R. J. Nelmes

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High-pressure studies of elemental metals

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Crystal structures of alkali metal–transition metal compounds synthesized under pressure

J. V. Badding, L. J. Parker and T. Atou

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High-pressure structures of group V elements and group IV–VI compounds

J. Maclean, P. D. Hatton, J. Crain, K. D. M. Harris, B. M. Kariuki, F. Wu and R. J. Cernik

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Structural systematics of the pressure-induced phase transitions in P, As, Sb and Bi

H. Iwasaki and T. Kikegawa

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Phase transition of CeAuGe under pressure

U. Schwarz and R. Pöttgen

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Structural change in molten KCl and KBr under pressure

S. Urakawa, N. Igawa, H. Ohno and O. Shimomura

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New structural systematics in the II–VI, III–V and group IV semiconductors at high pressure

R. J. Nelmes, M. I. McMahon, H. Liu and S. A. Belmonte

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High-pressure single-crystal X-ray diffraction study of ∊-FeSi

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Equation of state of I4/mcm KHF₂ and stability to 50 GPa: implications for structural systematics in AX₂ systems

A. G. Christy and S. M. Clark

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Structure of the perovskites along the SrTiO₃SrGeO₃ join

A. Grzechnik, H. Hubert, W. Petuskey and P. McMillan

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Theory and problems of microfocusing

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Microfocusing using K-B optics for GEOCARS-APS: first results

P. J. Eng, M. Rivers, B. X. Yang and T. Duffy

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Microfocusing experiments on a second-generation source

T. Kikegawa and O. Shimomura

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Microcrystal diffraction, difficult but possible

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X-ray diffraction of very small samples at extreme conditions of pressure and temperature

G. Fiquet, D. Andrault, J. P. Itié, P. Richet, P. Gillet, D. Haüsermann and M. Hanfland

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X-ray diffraction study of pressure-induced polymerization in simple molecules with triple bonds

K. Aoki, H. Yamawaki, M. Sakashita and H. Fujihisa

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New high-pressure compounds in methane–hydrogen mixtures

M. S. Somayazulu, L. W. Finger, R. J. Hemley and H. K. Mao

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Host structure and guest occupancy of N₂- and O₂-clathrates as a function of pressure by neutron powder diffraction

W. F. Kuhs, B. Chazallon and F. Pauer

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Neutron diffraction studies of hydrogen-bonded ices

J. S. Loveday, R. J. Nelmes, W. G. Marshall, J. M. Besson, S. Klotz and G. Hamel

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Compressibility of hydrogen bonds

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High-pressure phase transitions of FeS

K. Kusaba, Y. Syono, T. Kikegawa and O. Shimomura

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High-pressure behavior of silica and its analogs

K. J. Kingma, R. E. Gerald Pacalo and P. F. McMillan

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A new SiO₂ phase at physical conditions of Earth's lower mantle: theoretical and synchrotron X-ray evidences

L. S. Dubrovinsky, S. K. Saxena and A. B. Belonshko

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Phase transitions without symmetry change, and related high-pressure phenomena

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Synchrotron X-ray diffraction study of solid O₂: the crystalline structure of the e-phase

S. Desgreniers and K. E. Brister

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Pressure-induced phase transformations in ice at low temperature

J. L. Finney, C. Lobban, S. Klotz and J. M. Besson

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The structure of in situ ices III and V

C. Lobban, J. L. Finney and W. F. Kuhs

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Evidence of a symmetric disordered ice above ~62 GPa from Raman scattering and X-ray diffraction investigations

E. Wolanin, Ph. Pruzan, M. Gauthier, J. C. Chervin, B. Canny, D. Hausermann and M. Hanfland

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High-pressure rotation phase of ice VI

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High-pressure structural studies of alkali manganese(III) fluorides

S. Carlson, Y. Xu, R. Norrestam and U. Hålenius

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High-pressure X-ray diffraction studies of some oxides with layered structures

Y. Xu, S. Carlson and R. Norrestam

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Ambient pressure structure of ZrO₂-type Ca(OD)₂ by powder neutron diffraction

K. Leinenweber, D. Partin, U. Schuelke, M. O'Keefe and R. B. Von Dreele

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Crystal structure of high-pressure PNNH

R. E. Gerald Pacalo, K. D. Leinenweber and P. F. McMillan

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A new high-pressure phase of silica

R. Ahuja, O. Eriksson, J. M. Wills and B. Johansson

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Raman and X-ray analyses on chalcedony and chrysoprase

S.-C. Yu, H.-Y. Su and J.-S. Lee

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The structural pressure dependence of microcline (KAlSi₃O₈) to 7 GPa

D. R. Allan and R. J. Angel

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The structural pressure behaviour of paragonite

P. Comodi and P. F. Zanazzi

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Structural pressure dependence of synthetic braunite, Mn²⁺Mn³⁺₆O₈SiO₄

R. Miletich, D. R. Allan and R. J. Angel

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Comparative crystal chemistry of silicates beyond 20 GPa

L. Zhang, H. Ahsbahs, A. Kutoglu and S. S. Hafner

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Pressure-induced phase transition of AgGaS₂

H. Kitahara, N. Ishizawa, F. Marumo and Y. Noda

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Kinetic studies on the crystallisation of coesite using the HP/HT device MAX80 and SR

P. Zinn, E. Hinze and J. Lauterjung

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Large volume cell at high P/T – new limits and future prospects

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T-cup: a new high-pressure apparatus for X-ray studies

D. J. Weidner, Y. B. Wang, M. T. Vaughan, C. C. Koleda and I. C. Getting

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New applications of the Paris–Edinburgh cell: neutrons and X-rays

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Sapphire anvil cells for neutron scattering studies at high pressures

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Single-crystal studies in the Mbar range

P. Loubeyre and R. LeToullec

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Low–temperature study – new results and future prospect

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An externally heated high-temperature diamond anvil cell

Y. Fei and H. K. Mao

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Large-volume high-pressure facility at GSECARS, Advanced Photon Source

Y. Wang, M. Rivers, S. Sutton and T. Duffy

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Advances in single-crystal high-pressure diffraction

G. Herrmannsdörfer, R. J. Angel, D. R. Allan and R. M. Miletich

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The Kiel–Berlin cell: new developments and results

W. Depmeier, K. Knorr and B. Annighöfer

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The determination of the Seebeck coefficients of some common thermocouple wires using epithermal neutron resonance broadening

S. M. Clark, R. L. Jones, R. te-Lindert, D. Walker, M. C. Johnson and P. Fowler

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The melting temperature and compressibility of alpha silicon nitride up to 35 GPa

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Design of a compact high-pressure X-ray diffraction cell

M. Kriechbaum, M. Steinhart, R. Pressl and P. Laggner

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Neutron diffraction study of magnetic structures and phase transitions at very high pressures

I. N. Goncharenko

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Synchrotron-excited resonant Mossbauer study of magnetic properties under pressure up to 80 GPa

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Compton scattering study of electronic state in metals under high pressure

G. Oomi, T. Kagayama, F. Itoh, H. Sakurai, H. Kawata and O. Shimomura

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High-pressure studies on semiconductor nanocrystals: size effects in the structural and electronic properties of solids

S. H. Tolbert and A. P. Alivisatos

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The γ–α Fe₂O₃ transition

J. S. Olsen, L. Gerward, J. Z. Jiang, S. Morup and T. Peun

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X-ray studies of pressure effects in biological systems

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Computer modelling of pressure-induced phase transformations in solids

J. S. Tse, D. D. Klug and M. Bernasconi

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Systematic crystal chemistry of high-pressure silicates: an interactive graphics demonstration

R. M. Hazen and R. T. Downs

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Rheology measurements at high pressure and temperature

J. Ando, D. J. Weidner, Y. Wang and G. Chen

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The use of imaging plates in laboratory high-pressure X-ray powder diffraction experiments

J. Haines and J. M. Léger

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Software for high-pressure crystallography using area detectors

A. P. Hammersley, D. Hausermann, M. Kunz and C. Reul Wassilew

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2-D analysis of non-ideal powders using an image-plate detector

S. A. Belmonte, R. J. Nelmes and M. I. McMahon

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Single-crystal structure determination at pressures exceeding 20 GPa with synchrotron radiation

S. Werner, J. Kim-Zajonz, J. Wittlinger and H. Schulz

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Intensity analysis for high-pressure powder diffraction using diamond anvil cells

H. Fujihisa, K. Aoki, H. Yamawaki and M. Sakashita

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X-ray diffraction of liquids and glasses at high pressure

W. L. Vos and M. J. P. Brugmans

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The high-pressure menu

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Two-dimensional diffraction data collection with a large-volume press at the NSLS

J. Chen, R. Li, J. B. Parise and D. J. Weidner

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Neutron attenuation corrections for the Paris–Edinburgh high-pressure cell

W. G. Marshall, R. J. Nelmes, J. S. Loveday, J. M. Besson, S. Klotz and G. Hamel

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High-pressure studies with Kuma

D. Kucharczyk and A. Katrusiak

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IPA, a program for processing powder diffraction images

K. Lagarec and S. Desgreniers

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High-temperature furnace on an imaging plate scanner system

A. Baumgarte, J. Schreuer, M. A. Estermann and W. Steurer

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Growing crystals from liquids and gases

A. J. Blake, N. W. Mitzel, S. Parsons and D. W. H. Rankin

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Low-temperature single-crystal diffraction at the SUNY X3 beamline at the National Synchrotron Light Source

A. Darovsky, R. Bolotovsky, V. Kezerashvili and P. Coppens

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Low-temperature X-ray crystallography of magnets in low magnetic fields

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Structure of ammonium hydrogen succinate at low temperatures

S. Kashino, T. Yoshida, Y. Kubozono, T. Urukawa, Y. Yoshida, H. Ishida and H. Maeda

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High-temperature Rietveld refinements: systematic errors of measurement

A. Kern and W. Eysel

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Structural determination of the low-temperature phases of globular organic molecules by powder X-ray diffraction

A. J. Mora and A. N. Fitch

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Single-crystal X-ray diffraction at 9 K in Australia

A. N. Sobolev and B. N. Figgis

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Exploring new crystallographic symmetries in protein molecules

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Orbifolds of cubic crystallographic groups

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Description of triply periodic minimal surfaces

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Tetrahedral nets in zeolites, clathrates etc.: subunits and connectivity

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The supreme crystallography

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Unified system of Hermann–Mauguin symbols for groups of material physics

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Number and symbols of crystallographic point groups of five-dimensional space

R. Veysseyre, H. Veysseyre, D. Weigel and T. Phan

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Voronoi networks

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Prediction of models for tetrahedral frameworks based on the enumeration of graphs

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The fundamental regions of the point symmetry groups as the basis of the classification of the structural states of substance

N. V. Fyodorova and V. M. Talanov

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Transitions between different crystalline coordinate systems

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The density of ellipses packings with six contacting neighbours

T. Matsumoto and M. Tanemura

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Quasiperiodic lattices and quasisymmetry space groups

I. N. Mochtchenko

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Layer homology groups

A. F. Palistrant and A. A. Zadorozhny

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An apparently paradoxical situation in some centrosymmetric space groups

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Symmetry–thermodynamics conception

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Twinning and pseudo-symmetry in barium succinate

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Two- and three-dimensional groups of hyper-tablet P-symmetries and their application

A. M. Zamorzaev and A. F. Palistrant

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A quasiperiodic pattern generated by mixing dodecahedral and icosahedral lattice

T. Soma and Y. Watanabe

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Symmetry in multiple diffraction patterns

C. B. R. Parente, V. L. Mazzocchi, S. Metairon, J. M. Sasaki and L. P. Cardoso

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N-dimensional space group symmetry on the Web

A. Thiers, H. de Hilster and M. Ephraim

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Algorithm for construction data banks of the crystal structures with the given chemical formulas

V. R. Khachaturov

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Critical point analysis in protein density-map interpretation

S. Fortier, A. Chiverton, J. Glasgow and L. Leherte

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The measurement and use of topological features of the experimental electron density

V. G. Tsirelson

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Experimental determination of topological features in metals and inorganic materials

B. B. Iversen and F. Krebs Larsen

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Topology and quantum theory of atoms in molecules and crystals

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An efficient local analytic representation of electron-density maps: the spectral spline approximation

E. Nelson and L. Ten Eyck

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Transferability as a principle in chemistry – the charge density of CH₃NH₃⁺ in two salts

D. Madsen, C. Flensburg and S. Larsen

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TOPOND: a program for the application of the quantum theory of atoms in molecules to periodic systems

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A topological analysis of charge densities of the diamond, silicon and germanium crystals

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The use of multiple databases in practical materials identification problems

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Coordination of lead (Pb) in crystal structures: a Cambridge Structural Database study

L. Shimoni-Livny, C. W. Bock and J. P. Glusker

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Statistical hydrogen-bond studies based on neutron diffraction data

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A knowledge base of derived information from the Cambridge Structural Database: non-bonded interactions

J. C. Cole, F. H. Allen, J. P. M. Lommerse, R. S. Rowland and R. Taylor

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A database study of the bonding and conformation of bis-sulfonylamides and imides

A. Kálmán and P. Bombicz

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Automatic determination of structural subclasses

S. Guo, S. Fortier and J. I. Glasgow

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PLUTO: crystal packing energies in the Cambridge Structural Database

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PREQUEST: a data input program for the Cambridge Structural Database

P. Edgington, C. Macrae and S. Motherwell

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Structural library of commonly disordered counterions and included molecules. Establishment of selection criteria and methodology

R. J. Staples and J. H. Reibenspies

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Intermolecular interactions a five-membered ring pattern containing halogen⋯halogen and halogen⋯hydrogen interactions

O. Navon and J. Bernstein

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Turn and helix mimetics for peptide design

A. Mueller-Fahrnow and U. Egner

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Computational materials design: synergy of first-principles calculations and experimental databases

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Display of 3D crystal structures over the internet using VRML, for inorganic databases

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Dynamism for materials design after information fusion

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NIST Workshop on Crystallographic Databases

V. L. Karen and A. Mighell

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Databases and prediction of new inorganic compounds

N. N. Kiselyova

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Materials characterisation and databases

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Voids, electrons, and hierarchical order in inorganic compounds

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DIAMOND – a visual crystal structure information system

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Crystal chemical research potentials of database on properties of materials for electronics

S. A. Magarill, S. V. Borisov, N. V. Podberezskaya and L. M. Volkova

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An identification system using chemical information in modified existing databases

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Overview and plans for the Brookhaven Protein Data Bank

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Creation of the Protein Data Bank

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Early history of the Protein Data Bank and the evolution of the Nucleic Acid Database

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25 years of the PDB: impact on structural biology

D. R. Davies and G. H. Cohen

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The Protein Data Bank and the Cambridge Structural Database: inter-relationships in construction and utilization

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Improving the quality of NMR and crystallographic protein structures by means of a conformational database potential derived from structure databases

G. M. Clore, J. Kuszewski and A. M. Gronenborn

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Polymer nucleotides, peptides, saccharides and the PDB

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Structural diversity of sequentially identical subsequences of proteins

S. Sudarsanam and S. Srinivasan

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π-Turns in proteins and peptides; classification, occurrence, sequence and hydration: a Protein Data Bank analysis

S. Ramakumar and K. R. Rajashankar

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AutoDep – facilitating deposition to the Protein Data Bank through the new Web-based submission form

D. R. Stampf, E. E. Abola, N. O. Manning, D. Xue and J. L. Sussman

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PDB validation procedures – past, present and future

J. P. Rose, S. Swaminathan, E. Abola, N. O. Manning and J. L. Sussman

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PDB submission with X-PLOR

J.-S. Jiang, N. O. Manning, E. E. Abola, A. T. Brünger and J. L. Sussman

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Teaching crystallography for physics students in Egypt

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Crystallographic schools in Thailand and neighbouring countries

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Teaching in Russia: traditions and innovations

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Instructional materials

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X-ray crystallography and the synthetic chemist: 'hands-on' or 'hands-off'?

J. H. Enemark and M. A. Bruck

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Teaching crystallography. Who should be taught what?

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Teaching chemistry undergraduates enough crystallography

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Educational activities of the British Crystallographic Association (BCA)

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Teaching diffraction physics by computer simulations

R. B. Neder and Th. Proffen

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Teaching crystallography by computer aid

G. Polidori, G. Cascarano, C. Giacovazzo and A. Pifferi

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Introducing crystal structure determination using spreadsheets

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Using TEXSAN to study crystallography

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Plastic models of proteins and nucleic acids for education

M. D. Yoder and R. E. Smith

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Computer software for interactive manipulation of representation surfaces for higher-rank tensor properties

A. F. Stark, J. S. Miller and B. J. Wuensch

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The role of crystallomorphology in evaluation of fluorite ore deposition in Tajikistan

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The California State University Center for Molecular Structure

K. Kantardjieff

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The discoveries of X-rays by Roentgen and diffraction by von Laue

B. W. Batterman

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Crystallographic reminiscences, the early days

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Crystal structure determination

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Computing in crystallography: the early days

R. Langridge and J. P. Glusker

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Why have crystallographic databases?

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Protein crystallography

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Report on Section A of Acta Crystallographica

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Acta Crystallographica, Section B

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Status of Acta Crystallographica Section C

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Acta Crystallographica, Section D

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The Journal of Applied Crystallography 1993–1996

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Journal of Synchrotron Radiation (JSR)

J. R. Helliwell, S. S. Hasnain and H. Kamitsubo

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Chester publishing operations

P. R. Strickland and B. McMahon

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Status of Volume A: Space-group Symmetry

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Status of Volume B: Reciprocal Space

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The revised edition of Volume C and plans for electronic dissemination

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Status of Volume D of the International Tables of Crystallography, Physical Properties of Crystals

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Status of Volume E

D. B. Litvin and V. Kopsky

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Status of Vol. A1: Maximal Subgroups of Space and Plane Groups

H. Wondratschek

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International Tables for Crystallography Vol. A2: N-Dimensional Crystallography

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What is a CIF, and how is it used?

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How is a CIF prepared and edited?

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What is a CIF dictionary?

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Introduction to the CIF core definitions

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Introduction to the CIF powder definitions

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The mmCIF dictionary: community review and final approval

P. M. D. Fitzgerald, H. Berman, P. Bourne, B. McMahon, K. Watenpaugh and J. Westbrook

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Reading, writing and validating CIFS using CIFTBX2 and CYCLOPS

H. J. Bernstein and S. R. Hall

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Translating PDB entries into mmCIF

P. E. Bourne, H. J. Bernstein and F. C. Bernstein

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A supporting library of software tools for CIF and DDL2

J. Westbrook and S.-H. Hsieh

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Translating mmCIF data into PDB entries

F. C. Bernstein and H. J. Bernstein

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A mmCIF toolbox for CCP4 applications

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ImageNCIF: an initiative to standardise image formats

A. P. Hammersley

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CIF data for International Tables for Crystallography; Vol. A1 [subgroup data] (to appear) and Vol. A

H. Wondratschek, G. Madariaga and M. I. Aroyo

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STAR/CIF macromolecular NMR data dictionaries and data file formats

E. L. Ulrich, D. Argentar, A. Klimowicz, W. M. Westler and J. L. Markley

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Towards a reference library of monomers

J. Richelle and A. Vagin

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Surfing the Crystallographic Net (CRYSNET) workshops

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Argonne modular CCD detector

N. E. C. Duke, I. Naday and E. M. Westbrook

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The first experiments of the 10 MHz position-sensitive detector 'OD-3'

V. M. Aulchenko, Yu. S. Velikzhanin, V. M. Titov, S. A. Ponomarev, Yu. V. Usov, M. S. Dubrovin, B. P. Tolochko, Yu. A. Gaponov and O. V. Evdokov

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The analysis of macromolecules under aqueous and non-aqueous conditions determining the particle size distribution and molecular weight distribution using low- and right-angle laser light scattering and photon correlation spectroscopy (PCS) detection with size exclusion chromatography

T. Havard and P. Wallace

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Picosecond time-resolved X-ray diffraction from single crystals

P. M. Rentzepis, P. Chen and I. V. Tomov

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The vacancy diffusion in bcc ³He

V. V. Boiko, N. V. Zuev, N. E. Dyumin and V. N. Grigor'ev

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Effect of atomic heterogeneity on Sayre's equations

S. Das and G. B. Mitra

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Accuracy of structure factor amplitudes from a powder diffraction pattern: the role of the prior information

A. Guagliardi, A. Altomare, G. Cascarano, C. Giacovazzo, A. G. G. Moliterni, M. C. Burla and G. Polidori

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X-ray crystal studies of hydroxylamine oxidoreductase

N. Igarashi, H. Moriyama, T. Fujiwara, Y. Fukumori and N. Tanaka

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The crystal structure of Asn⁶⁹⁴His mutant of L-1 isozyme of soybean lipoxygenase

K. Lewinski, J. Steczko, T. Holman, E. Sigal, B. Stec, B. Axelrod and W. Minor

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A new serine protease fold revealed by the crystal structure of human cytomegalovirus protease

L. Tong, C. Qian, M.-J. Massariol, P. R. Bonneau, M. G. Cordingley and L. Lagacé

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The crystal structure of human cytomegalovirus protease

P. Chen, R. Almassy, H. Tsuge, D. Matthews, C. Pinko, C. Gribskov and C.-C. Kan

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The three-dimensional structure of apopain/CPP32, a key mediator of apoptosis

J. Rotonda and J. W. Becker

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Structure of a superantigen T-cell receptor chain complex

R. A. Mariuzza, H. Li, E. L. Malchiodi, X. Ysern, C. V. Stauffacher, P. M. Schlievert, K. Karjalainan and B. A. Fields

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Preliminary diffraction studies of the regulated form of chicken SRC protein tyrosine kinase

J. C. Williams, A. Weijland, S. A. Courtneidge, G. Superti-Furga and R. K. Wierenga

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Structures of elongation factor Tu-GDP complexed to antibiotics: GE2270 and tetracycline

K. Abel, S. Mui, M. Yoder and F. Jurnak

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Three-dimensional structure of the E. coli elongation factor Tu–Ts complex at a resolution of 2.3 Å

S. Heffron, J. Vitali, B. Schick, K. Abel and F. Jurnak

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Sugar binding in crystalline cyclodextrin glucanotransferase

K. Harata, N. Ishii, K. Haga, M. Aoyagi and K. Yamane

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Design and synthesis of novel potent non-peptide and orally active renin inhibitors

M. Grütter, J. Maibaum, V. Rasetti, H. Rüeger, R. Göschke, R. Mah, N. C. Cohen, J. Rahuel, F. Cumin and J. Wood

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The second cycle of a protein engineering project: the replacement of a loop in monomeric triosephosphate isomerase (monotim)

R. K. Wierenga, N. Thanki, W. Schliebs, J. Ph. Zeelen, R. Abagyan and R. Jaenicke

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Crystallization separates a distinct short form of a pollen allergen with biological activity

W. Weber, Ch. Betzel and A. Bufe

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Crystal structure of [2-(P-(methoxyphenyl)hydroxy)methylene-2H-1,4-benzothiazine-3-(4H)-one](+)

K. A. Nirmala and P. Kumaradhas

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The crystal structures of some benzodiazepines and benzazepines as nonpeptide cholecystokinin receptor ligands

N. N. Tsou, K. Hoogsteen, J. P. Springer and R. G. Ball

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Studies of hydrogen bonding in crystalline solids of cyclic dipeptides

G. Tayhas, R. Palmore and M. T. McBride

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Displacements of the planar Cu and apical O atoms at intervals of the coherence length in YBa₂Cu₃O_7−δ decrease with oxygen content

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Modular crystal chemistry of oxide superconductors revisited: polysomatism in bismuth cuprates

M. O. Figueiredo

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X-ray diffraction of interfaces in nanocrystals

Y. Wang and K. Xing

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Grain boundary crystallography

D. Romeu, L. Beltrán, J. L. Aragón and A. Goméz

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Structure of SiC films grown on Si(111) and (110) substrates by solid-source molecular beam epitaxy

U. Kaiser, A. Fissel, W. Richter, S. B. Newcomb and W. M. Stobbs

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Interface kinetics and mechanism of a new organometallic coordination compound: ATMB crystal

X. Yu, Y. Sun, W. Hou, S. Zhang and Z. Cheng

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Determination of zero-flux surfaces and integrated properties from experimentally determined charge densities in crystals

C. Flensburg, D. Madsen, S. Larsen and R. F. Stewart

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3DBase – a macromolecular structure database

E. E. Abola, J. Prilusky, N. O. Manning and J. L. Sussman

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Protein Data Bank – where we are today

N. O. Manning, E. E. Abola, F. C. Bernstein, J. A. Callaway, F. M. Cummings, B. R. Deroski, P. A. Esposito, A. Forman, P. A. Langdon, M. D. Libeson, J. E. McCarthy, J. Prilusky, J. P. Rose, R. K. Shea, J. L. Sikora, D. R. Stampf, S. Swaminathan, D. Xue and J. L. Sussman

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Advances

Recently published Advances articles are given below.

Interpretation of angular symmetries in electron nanodiffraction patterns from thin amorphous specimens. A. C. Y. Liu, G. R. Lumpkin, T. C. Petersen, J. Etheridge & L. Bourgeois (2015). Acta Cryst. A71, doi:10.1107/S2053273315011845.

Identification of inversion domains in KTiOPO₄ via resonant X-ray diffraction. F. Fabrizi, P. A. Thomas, G. Nisbet & S. P. Collins (2015). Acta Cryst. A71, 361-367.

Partial order among the 14 Bravais types of lattices: basics and applications. H. Grimmer (2015). Acta Cryst. A71, 143-149.

SHELXT - Integrated space-group and crystal-structure determination. G. M. Sheldrick (2015). Acta Cryst. A71, 3-8.

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Mathematical Crystallography

Bragg centennial issue

Laue centennial issue

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