Acta Crystallographica Section A
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Volume 62| Part a1

ISSN: 2053-2733

December 2006 issue

Abstracts of the 23rd European Crystallography Meeting

Leuven, Belgium, 6-11 August 2006

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abstracts

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Making use of coordinate uncertainties in structure comparison

T. R. Schneider

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XRD on nanocrystalline materials – the capability and information content

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Femtosecond X-ray diffraction

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Incommensurate high-pressure and high-temperature structures in group VI elements

C. Hejny, S. Falconi, L. Lundegaard and M. McMahon

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Modern hydrogen bonding theory

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Who is afraid of dynamical scattering?

G. Van Tendeloo and J. Hadermann

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Elegant and mysterious structures of minerals

D. Yu. Pushcharovsky

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Halogen-mediated supramolecular chemistry in the solid state

L. Brammer, G. Mínguez Espallargas and F. Zordan

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Progress in the application of synchrotron radiation in chemistry and biology

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Charge, spin and momentum densities: different faces of this same nature

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Structural biology of cysteine cathepsins

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Bridging phases in high-response piezoelectric materials

B. Noheda and D. E. Cox

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Structure-based chemotherapy of SARS – where do we stand, three years after the global outbreak?

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Crystal engineering of porphyrin network materials

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Structural insights into the RNA degradation mechanism

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Measurement and modelling of residual stresses and texture in aluminium interconnects in micro-electronic devices

P. Van Houtte, S. R. Kalidindi and A. Saerens

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An overview of crystallization in gels

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Why space crystallisation? Answers based on experimental results

K. Tsukamoto, P. Dold, E. Ono and M. Koizumi

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Locally controlling the orientation of polymer crystals by nanoimprint lithography

Z. Hu, J. Chen, V. Bayot and A. M. Jonas

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Microgravity crystal growth in a magnet

P. W. G. Poodt, M. C. R. Heijna, P. C. M. Christianen, W. J. P. van Enckevort, W. J. de Grip, K. Tsukamoto, J. C. Maan and E. Vlieg

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High-quality protein crystallization in space by JAXA-GCF project

S. Sano, H. Tanaka, K. Inaka, S. Shinozaki, A. Yamanaka, S. Takahashi, M. Yamanaka, E. Hirota, S. Sugiyama, M. Kato, C. Saito, M. Sato, M. Motohara, T. Nakamura and T. Kobayashia

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The new high-throughput crystallization at the EMBL-Hamburg

J. Müller-Dieckmann

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A new technique and device for 3D imaging of crystals while still in solution

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A novel instrument for in-situ X-ray inspection of protein crystals in multi-well plates

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A process for the rational crystallization of biological macromolecules

K. M. V. Hoffmann, C. Janzen, H. Delbrück, M. B. Kupper, R. Noll and R. Fischer

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Microfluidic chips for parallelized analytical crystallization

A. May, D. Cohen, G. Sun, S. Weaver, A. Patel, Y. Yi and K. Farrell

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An overview of informatics developments for managing target selection to X-ray data collection

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Auto-Rickshaw: an automated crystal structure determination pipeline as an efficient tool for fast validation of an X-ray diffraction experiment

S. Panjikar, V. Parthasarathy, V. S. Lamzin, M. S. Weiss and P. A. Tucker

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MrBUMP: automated search model discovery and preparation for structure solution by molecular replacement

M. D. Winn, R. M. Keegan and N. D. Stein

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AutoDep 4.0: a web-based deposition and archival system

G. J. Swaminathan, S. Velankar, R. H. Newman, A. Kapopoulou and K. Henrick

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Structural genomics on human kinases at SGC Oxford

J. É. Debreczeni, S. Knapp, F. von Delft and M. Sundstrom

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mRNA transcription and its regulation by RNA

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Structural aspects of quadruplexes as potential therapeutic targets

G. Parkinson and S. Neidle

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A comparison of palindrome and pseudopalindrome cutters

M. Bochtler, R. H. Szczepanowski, G. Tamulaitis, S. Grazulis, H. Czapinska, E. Manakova and V. Siksnys

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Duplex with non-WC pairings: crystal structure of d(gcGAGGGAgc)

Y. Sato, K. Mitomi, S. Shimizu, E. C. M. Juan, J. Kondo and A. Takénaka

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Cyclohexene oligonucleotides: structure of the L-CeNA sequence GTGTACAC

K. Robeyns and L. Van Meervelt

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Structural basis of enzyme adaptation to alkaline pH

A. C. Papageorgiou

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Ultra high resolution X-ray and neutron diffraction studies of fully deuterated aldose reductase show a catalytic proton pathway

F. Ruiz, A. Mitschler, I. Hazemann, M. Blakely, M.-T. Dauvergne, F. Meilleur, M. Van Zandt, S. Ginell, A. Joachimiak, D. Myles and A. Podjarny

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New approaches to cryo- and room-temperature crystallography

R. E. Thorne, V. Berejnov, M. Warkentin, Y. Kalinin, N. Husseini and O. Alsaeid

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A new lanthanide complex for protein structure determination using anomalous diffraction

G. Pompidor, O. Maury, J. Vicat and R. Kahn

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The EU BIOXHIT standard test crystal – verfiying Se-MAD beamlines

I. Dix, S. Rühl, L. Fink and G. M. Sheldrick

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Structural studies of the nucleosome remodeling factor CHRAC

C. W. Müller, C. R. Clapier, C. Fernández-Tornero, U. Steuerwald, T. Grüne and I. Gutsche

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Double-stranded DNA translocation: structure and function of hexameric FtsK

J. Löwe, T. H. Massey and C. P. Sherratt

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Structures of viral receptor-binding fibres

M. J. van Raaij

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Structural characterisation of the Bcl-2 protein A1 bound to BH3-domain peptides

C. Smits and C. Day

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Structural basis of yeast aminoacyl-tRNA synthetase complex formation

H. Simader, M. Hothorn, C. Köhler, G. Simos and D. Suck

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Bacterial tubulin BtubA/B: a folding mystery

D. Schlieper and J. Löwe

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Molecular mechanism of a signal transduction in cells

V. I. Gordeliy, R. Moukhametzianov, J. Klare, R. Efremov, J. Labahn, S. Grudinin, M. Engelhard and G. Bueldt

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Serendipitous discovery of a human phosphate binding apolipoprotein

E. Chabriere, R. Morales, A. Berna, P. Carpentier, C. Contreras-Martel, F. Renault, M. Nicodeme, M.-L. Chesne-Seck, F. Bernier, J. Dupuy, C. Schaeffer, H. Diemer, A. Van-Dorsselaer, J. C. Fontecilla-Camps, P. Masson and D. Rochu

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Chaperone-subunit complex recognition by the type 1 pilus assembly platform FimD

M. Nishiyama, O. Eidam, R. Horst, M. Vetsch, M. Grütter, K. Wüthrich, R. Glockshuber and G. Capitani

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The structure of the human mitochondrial β-ketoacyl-ACP synthase

C. E. Christensen, B. Kragelund, P. von Wettstein-Knowles and A. Henriksen

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Aminoglycoside binding to HIV-1 DIS kissing-loop complex: from crystals to cells

E. Ennifar, J.-C. Paillart, R. Marquet and P. Dumas

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Structures of VSV glycoprotein ectodomain in both pre- and post-membrane fusion conformation

S. Bressanelli, S. Roche, F. Rey and Y. Gaudin

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High-resolution structure of the cofactor regenerator formate dehydrogenase from candida boidinii

K. Schirwitz, A. Schmidt and V. Lamzin

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Structural basis of Dscam isoform specificity

R. Meijers, R. Puettmann Holgado, Y. Skiniotis, J.-H. Liu, T. Walz, D. Schmucker and J.-H. Wang

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Structure of a spherical selfcompartmentalizing sulphur cycle metalloenzyme

C. Frãzao, T. Urich, C. Gomes and A. Kletzin

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Towards structural determination of human membrane proteins

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Crystal structure of the membrane-bound complex cytochrome c nitrite reductase

M. L. Rodrigues, T. Oliveira, P. M. Matias, I. C. Martins, F. M. A. Valente, I. A. C. Pereira and M. Archer

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Refined structural model of photosystem II from Thermosynechococcus elongatus, structural changes in reaction centre

P. Palencár, F. Vácha and M. Kutý

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Iron transport and signal transduction in Pseudomonas aeruginosa: crystal structures of the TonB-dependent outer membrane receptors FpvA and FptA

C. Wirth, H. Celia, F. Pattus and D. Cobessi

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Structure of the Na⁺/H⁺ antiporter NhaA

C. Hunte, E. Screpanti, M. Venturi, A. Rimon, E. Padan and H. Michel

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Structures and mechanisms of human oxygenases

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Degradation of halogenated compounds: structures and catalytic mechanisms of dehalogenases

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Substrate distortion by a lichenase highlights the different conformational itineraries harnessed by related glycoside hydrolases

V. A. Money, N. L. Smith, R. V. Stick, H. J. Gilbert and G. J. Davies

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Small molecules with big impact: fine static and dynamic detail in the atomic resolution structures of hydroxynitril lyase from Hevea brasiliensis give insight into mechanisms of ligand binding

A. Schmidt, C. Kratky and V. S. Lamzin

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Reaction mechanism of CCH type β-ketoacyl-ACP synthases

A. Henriksen, J. G. Olsen and P. von Wettstein-Knowles

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Testing the compact light source: a miniature synchrotron for the home lab

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Experiments using ultrashort coherent X-ray radiation at the future European XFEL facility

Th. Tschentscher

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X-ray fluorescence holographic study on a single-crystal thin film of a rewritable optical media

S. Hosokawa, K. Hayashi, N. Happo and T. Ozaki

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Phasing in the home laboratory

R. Tyrrell, J. D. Ferrara, C. Yang, R. Bolotovsky and J. W. Pflugrath

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Lithium fluoride film detectors for hard X-ray contact microscopy at high spatial resolution

D. Pelliccia, S. Almaviva, I. Franzini, A. Cedola, F. Bonfigli, R. M. Montereali and S. Lagomarsino

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Molecular recognition of carbohydrates with artificial receptors

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Promiscuity in biosynthetic enzymes: structural basis for antibiotic diversity

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Pathogenesis-related plant protein in complex with multiple hormone molecules

H. Fernandes, W. Czyrek, O. Pasternak, L. Handschuh, G. Bujacz, M. Sikorski and M. Jaskólski

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Antibodies: specificity and promiscuity of ligand recognition

P. Verdino, C. Aldag, D. Hilvert and I. A. Wilson

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Formation of amyloid fibres followed by X-ray diffraction in real time. Implications for the identity of bio-active species in conformational diseases like Alzheimer's disease

L. M. J. Kroon-Batenburg, B. Bouma, M. F. B. G. Gebbink and P. Gros

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Nanoscale magnetic properties of iron minerals in bacteria

M. Pósfai, T. Kasama, E. T. Simpson, R. K. K. Chong and R. E. Dunin-Borkowski

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Biomineralization and self-assembled nanostructures – structure determination and material properties

H. C. Lichtenegger

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X-ray microdiffraction for engineered bone study: scaffold resorption analysis

A. Cedola, M. Mastrogiacomo, M. Burghammer, R. Cancedda, F. Rustichelli, V. Komlev and S. Lagomarsino

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The organization of the organic structural framework in the enamel biomineralization processes

G. Falini, S. Fermani, C. Du and J. Moradian Oldak

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Time-resolved fibre diffraction on human arteries during tensile testing and nanostructure correlation to mechanical behavior

H. Amenitsch, F. Schmid, G. Sommer, M. Rappolt, P. Regitnig, G. Holzapfel and P. Laggner

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Halogen⋯halogen interactions in hexahalogenated benzenes

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The relationship between the molecular structure and the chemical properties: what about the topological analysis of the electron density distribution? An application to hydrogen bonds

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Peptide plane flipping provides an explanation why alpha-sheet is a likely conformation for the amyloid prefibrillar intermediate

J. E. Milner-White and S. Hayward

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Phase transitions, polymorphism and photochromism of salicylideneaniline

F. Arod, P. Pattison, K. Schenk and G. Chapuis

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Analysis of strong and weak inter- and intramolecular interactions in the crystals of carborane derivatives

I. Glukhov, K. Lyssenko, A. Korlyukov and M. Antipin

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The use of electron diffraction for the structural characterization of modulated and aperiodic structures

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Modulations and worse in Sb-Zn and related systems

S. Lidin, J. Nylén, U. Häussermann and A. Tengå

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Manganese oxide tunnel structures determined with TEM

J. Hadermann, A. M. Abakumov, L. Gillie, O. Perez, C. Martin, M. Hervieu and G. Van Tendeloo

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Deformed Penrose tilings

T. R. Welberry, A. G. Beasley and B. Sing

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Introduction to JANA2006

M. Dusek, V. Petricek and L. Palatinus

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Superspace embedding of sheelite-like structures

A. Arakcheeva and G. Chapuis

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The role of electron diffraction in zeolite structure determination

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Quantified electron diffraction on pigments

U. Kolb and T. Gorelik

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Investigation of the domain structure, size and orientation in lead zirconate titanate PZT ceramics by transmission electron microscopy

L. A. Schmitt, K. A. Schoenau, R. Theissmann, M. Knapp, H. Kungl and H. Fuess

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New one-dimensional phases in the Sr/Ca-Mn/Co-O system

K. Boulahya, M. Parras and J. M. González-Calbet

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Computer assisted analysis of diffuse electron diffraction of precipitates in GaAs

H. Kirmse, I. Häusler, I. Hähnert, W. Neumann and K. Scheerschmidt

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Quantitative characterization of aperiodic nanostructures: the advantage of using electrons

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Cs-correction and electron holography: exciting TEM-methods for solving nanoquestions

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Organic and inorganic assemblies

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Phase transition of copper(II) phthalocyanine thin films characterized by a near-field microwave microprobe

K. Lee, J. Kim and S. Kim

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Quantitative TEM analysis of structure and chemical composition of Si_1−xGe_x islands

W. Neumann, H. Kirmse, I. Häusler and R. Schneider

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Structure determination of nanosized, semi-coherent Al-Mg-Zn precipitates by precession electron diffraction and synchrotron X-ray diffraction

V. Hansen, A. Kverneland, G. Thorkildsen, H. B. Larsen, P. Pattison, C. Gilmore, R. Vincent and J. Gjønnes

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How to resolve ab-initio nanostructures by electron diffraction: applications of beam precession in transmission electron microscopy

S. Nicolopoulos and M. Nickolskiy

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Unit cell refinement of nano-sized Ni₄Ti₃ precipitates by quantitative electron diffraction

W. Tirry, D. Schryvers, K. Jorissen and D. Lamoen

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Structure determination of the hexagonal λ′-(Al,Si)₄Cr by the strong reflections approach

Z. B. He, X. D. Zou, S. Hovmöller, P. Oleynikov and K. H. Kuo

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The structure of pseudo-cubic Mn₂O₃ solved by electron crystallography

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Synchrotron X-ray diffraction for art history, archaeology and heritage conservation

L. Bertrand, D. Thiaudière and J. Doucet

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The use of time of flight neutron diffraction in bronze archaeometallurgy

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Towards an understanding of Damascene blades

P. Paufler, M. Reibold, W. Kochmann, A. A. Levin, N. Pätzke and D. C. Meyer

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New ideas about old chestnuts: phase transitions in perovskites

R. J. Angel, J. Zhao and N. L. Ross

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Ab Initio simulations of pressure-driven phase transitions of silver halides

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First row transition metal phosphates: novel structure types, morphotropic and homologous series, topological correlations

O. Yakubovich, W. Massa and O. Dimitrova

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Symmetry in the crystal growth processes from the melt

Yu. M. Smirnov, I. A. Kaplunov and A. I. Kolesnikov

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Bilbao Crystallographic Server – new databases and computer tools

M. I. Aroyo, D. Orobengoa, C. Capillas and J. M. Perez-Mato

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New topologies of metal based croconates: syntheses, crystal structures and thermal behaviours

E. Gavilan and N. Audebrand

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Topological comparison between high-pressure borates and ambient-pressure silicates

H. Huppertz and J. S. Knyrim

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Hydrogen bonds controlling the structure type

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Knotted frameworks: how many distinct ways can a framework topology be realised?

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Topological aspects of cell twins

M. Nespolo and G. Ferraris

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Structure analysis of actinide compounds in solution by X-ray absorption spectroscopy

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Short- and long-range structure of crystals as revealed by XAFS spectroscopy

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Structural change wide-gap semiconductor in reconstructive phase transitions: AlN, BN and B_xAl_1−xN solid solutions

V. Ilyasov, T. Zhdanova and I. Nikiforov

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High pressure X-ray absorption study of BaTiO₃ and SrTiO₃ at the Ti K edge

A. Polian, J. P. Itié, A. M. Flank, P. Lagarde and B. Couzinet

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O 1s X-ray absorption spectra of Sr₂RuO₄ and SrRuO₃

J. Manica and M. Abbate

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Layer charge of smectites: linking crystal structure with physical properties

G. E. Christidis

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Application of synchrotron radiation in cement mineralogy

P. Stemmermann and K. Garbev

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Structural defects and polytypism in moissanite and synthetic SiC crystals

G. Tempesta, G. Agrosì, G. C. Capitani, R. A. Fregola and E. Scandale

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Cubic growth of natural diamond

M. Moore, E. Fritsch, J. Milledge, E. Paschoud and B. Rondeau

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Intercalation of sulphonates in the lamellar structure of Zn-Al-NO₃⁻ layered double hydroxides precursor phases

T. Kühn and H. Pöllmann

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Symmetry and physical aspects of the near-edge resonant 'forbidden' reflections

V. E. Dmitrienko, E. N. Ovchinnikova, A. A. Antonenko, K. A. Kozlovskaya, A. Kirfel, S. P. Collins, D. Cabaret, R. V. Vedrinskii, J. Kokubun and K. Ishida

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Study of charge ordering by resonant diffraction

Y. Joly, E. Nazarenko and E. Lorenzo

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Charge order as seen by resonant X-ray scattering: crystallography in the twilight zone

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Elucidating the structure of liquid crystal phases using resonant X-ray scattering

H. F. Gleeson, N. W. Roberts, S. Jaradat, S. T. Wang, Z. Q. Lui, C. C. Huang, J. Bai, E. Dimasi and R. Pindak

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Measurement of features from tomographic images of materials structures

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Absorption-contrast synchrotron-radiation-based micro computed tomography in medicine, biology, and materials science

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Phase sensitive micro-tomography with asymmetric Bragg reflection

P. Modregger, D. Lübbert, P. Schäfer and R. Köhler

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Phase contrast imaging and tomography with hard X-rays and cold neutrons

C. David, F. Pfeiffer, C. Kottler, O. Bunk, C. Grünzweig, E. Lehmann, G. Frei, M. Stampanoni and P. Cloetens

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UGCT: the new CT facility of the Ghent University (Belgium)

M. Dierick, B. Masschaele, J. Vlassenbroeck, V. Cnudde, L. Van Hoorebeke and P. Jacobs

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Porous coordination polymers with structural regularity and flexibility

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Organizing supramolecular functional dye-zeolite crystals

G. Calzaferri, A. Zabala Ruiz, H. Li, S. Huber and A. Devaux

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Molecular mechanism of dielectrically controlled optical resolution (DCR)

N. Hirayama and K. Sakai

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Structural and energetic comparison among the stable forms in a polymorphic system of 2,5-diamino-3,6-dicyanopyrazine dyes: the approach toward clarification of polymorph occurrence

S. Matsumoto, Y. Uchida and M. Yanagita

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(trans)-4-Chloro-4'-nitrostilbene – a detailed structure analysis of a polar material

N.-R. Behrnd, G. Couderc, J. Hulliger, H. Bürgi, V. Paloth and M. Wübbenhorst

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Crystal structures of hydrophobic dipeptides as hosts for organic solvent molecules

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Long distances, weak interactions?

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Single crystal transformations

L. J. Barbour, L. Dobrzańska and G. O. Lloyd

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Fluorinated phenoxysubstituted triazines as organic zeolites

K. Reichenbaecher, A. Neels, G. Couderc, N. R. Behrnd, K. Kraemer and J. Hulliger

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Searching the Cambridge Structural Database for solvated vs unsolvated pairs

J. van de Streek and S. Motherwell

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Constructing co-crystals with molecular sense and supramolecular sensibility

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Polymorphism and isostructurality of cyclodextrins and their inclusion complexes

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Past and present: the meaning of morphotropism

A. Kálmán and L. Fábián

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Inclusion compounds from a Diol Host

G. Ramon, L. R. Nassimbeni and E. Weber

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Stuctures of iron(II) and copper(II) coordination polymers with α,ω-bis(tetrazol-1-yl)di(ethylene glycol)

Y. Boland, B. Tinant, A. Attout and Y. Garcia

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Energy minimisation of crystal structures containing flexible molecules

P. G. Karamertzanis and S. L. Price

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Ab-initio quantum-mechanical investigation of molecular crystals

B. Civalleri, L. Maschio and S. Casassa

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Crystal structure prediction of organic pigments

N. Panina, F. Leusen, R. Van de Ven, F. Janssen, P. Verwer, H. Meekes, E. Vlieg and G. Deroover

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The influence of disorder on polymorphism

A. G. Beasley, T. R. Welberry and D. J. Goossens

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Analysing stacking disorder with a genetic algorithm

J. Hauser and H.-B. Bürgi

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'Pushing the boundaries' of evolutionary algorithms in SDPD – a cultural differential evolution approach

M. Tremayne and S. Chong

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Deciphering the structural information in a zeolite powder diffraction pattern

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Analysis of structure factors of zeolitic materials

J. Rius, I. Peral and C. Miravitlles

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An in situ simultaneous Raman-Synchrotron X-ray diffraction study at non ambient conditions: experimental setup and applications

D. Viterbo, M. Milanesio, G. Croce, E. Boccaleri, F. Carniato, W. van Beek and H. Emerich

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Ab initio structure solution of powder samples by anomalous dispersion techniques

J. R. Helliwell, M. Helliwell and R. H. Jones

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Microstructure of crystalline materials determined by whole powder pattern X-ray line profile analysis

G. Ribárik and T. Ungár

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Whole powder pattern methods for nanoparticles characterization

A. Guagliardi, A. Cervellino, C. Giannini, D. Zanchet and M. Ladisa

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Response of the ferroelectric domain structure of morphotropic PZT to the application of an electric field – in-situ synchrotron X-ray diffraction

K. A. Schoenau, L. A. Schmitt, M. Knapp, N. Balke, D. C. Lupascu, R. Theissmann, H. Kungl, M. Leoni, P. Scardi and H. Fuess

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X-ray scattering study of crystallization of magnetron sputtered TiO₂ thin films

R. Kuzel, L. Nichtová, D. Herman and J. Musil

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Protein crystallography as a source of data on protein quaternary structures

E. Krissinel and K. Henrick

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Automated structure determination with PHENIX

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Indium(III) complexes within the protein crystal after HipHop refinement

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The Patterson deconvolution method for the ab-initio structure solution of large proteins

R. Caliandro, B. Carrozzini, G. L. Cascarano, L. De Caro, C. Giacovazzo and D. Siliqi

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The 'Buccaneer' software for automated protein chain tracing

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The Bayesian approach to absolute structure determination

R. W. W. Hooft, L. H. Straver and A. L. Spek

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Automated structure determination

H. Puschmann and L. Bourhis

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How can we cope with negative scattering density?

G. Oszlányi and A. Sütö

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Prototype structures and structure factor algebra as an aid to the refinement of problem structures

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Structure determination without Fourier inversion: a new concept

K. F. Fischer, A. Kirfel and H. Zimmermann

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Prediction of unknown crystal structures with evolutionary algorithms

A. R. Oganov and C. W. Glass

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CrystalExplorer: a tool for displaying Hirshfeld surfaces and visualising intermolecular interactions in molecular crystals

D. Jayatilaka, S. K. Wolff, D. J. Grimwood, J. J. McKinnon and M. A. Spackman

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dSNAP: new software for analysing the results of cambridge data base searches

C. Gilmore, G. Barr, W. Dong, A. Parkin, D. Sneddon and C. Wilson

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New software for identifying hydrogen bond motifs

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Eval15: accurate data integration by profile prediction

X. Xian, A. M. M. Schreurs and L. M. J. Kroon-Batenburg

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Possibilities of controlling an X-ray beam with a crystal subjected to ultrasonic vibrations

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Kirkpatrick-Baez mirrors used in high resolution X-ray microscopy, tomography and fluorescence analysis

P. Cloetens, S. Bohic, C. Borel, O. Hignette, G. Johnson, W. Ludwig, R. Mokso, C. Morawe, R. Ortega and R. Tucoulou

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Hard X-ray nanoprobe with refractive X-ray lenses

C. G. Schroer, O. Kurapova, J. Patommel, P. Boye, J. Feldkamp, B. Lengeler, M. Burghammer, C. Riekel and L. Vincze

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X-rays guided by linearly graded SiGe layer grown on relaxed SiGe/Si structure

S. E. Bezirganyan, H. H. Bezirganyan Jr, H. P. Bezirganyan and P. H. Bezirganyan Jr

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Multilayer optics for high brightness X-ray sources

J. Graf, J. Wiesmann, C. Michaelsen, A. Oehr and C. Hoffmann

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Magnetic and crystal structures probed by neutrons in 40 GPa pressure range

I. N. Goncharenko

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Development of a new state-of-the-art beamline optimised for single crystal and powder X-ray diffraction under extreme conditions at the ESRF

M. Mezouar, W. Crichton, S. Bauchau, G. Blattmann, P. Marion, J. Chavanne, Y. Dabin, O. Hignette and C. Morawe

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High-pressure studies of organic molecular crystals

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Structural features related to pressure-induced electronic/magnetic phenomena in TM compounds

G. Kh. Rozenberg, M. P. Pasternak, Y. Amiel, W. M. Xu, L. S. Dubrovinsky and M. Hanfland

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High pressure response of nanophase materials

G. R. Hearne, V. Pischedda and J. E. Lowther

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Structural analysis of multi-enzymatic complexes by small angle X-ray scattering

V. Receveur-Brechot, M. Hammel, M. Czjzek, E. A. Bayer and H. P. Fierobe

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Polymer melting versus crystallization: a combined small-angle X-ray scattering and atomic force microscopy study

D. A. Ivanov, M. Dosière and M. H. J. Koch

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New SANS instruments at the Oak Ridge high flux isotope reactor and spallation neutron source

G. D. Wignall, W. T. Heller, G. W. Lynn, Y. B. Melnichenko, D. A. Myles, V. S. Urban and J. K. Zhao

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Investigation of dynamic processes in lipid-based nanoparticulate drug carrier systems with small and wide angle X-ray diffraction

H. Bunjes, J. Kuntsche and G. Wörle

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Role of co-reactants during the formation of silica gels assessed by in situ SAXS

C. J. Gommes, B. Goderis, J.-P. Pirard and S. Blacher

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Macroscopic assemblies of aligned nanotubes studied by X-ray diffraction and microdiffraction

P. Launois and V. Pichot

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Recognition-controlled molecular crystals of fullerenes with cubane

S. Pekker, G. Oszlányi, G. Bortel, E. Kováts, I. Jalsovszky and G. Faigel

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Mixed interfullerene bonding motifs in C₆₀ based polymers

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Nanotube field of C₆₀ and C₇₀ molecules in carbon nanotubes

B. Verberck and K. H. Michel

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Role of the catalyst in the synthesis of carbon nanotubes

H. Amara, C. Bichara and F. Ducastelle

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Phosphonate-based hybrids: from structural aspects to biological applications

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Plant tissues as hierarchical templates for inorganic nanomaterials

O. Paris, A. S. Deshpande, G. A. Zickler and L. Sapei

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Physisorbed films in periodic mesoporous silica studied by in-situ synchrotron small-angle diffraction

G. A. Zickler, S. Jähnert, S. S. Funari, G. H. Findenegg and O. Paris

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Charge density matching in organic-inorganic uranyl compounds

S. V. Krivovichev, I. G. Tananaev and B. F. Myasoedov

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A combined single crystal X-ray diffraction and FTIR study of CAL-1 a novel microporous silico-aluminophosphate

C. Gieck, C. E. da Silva, G. Gatti, L. Marchese and H. O. Pastore

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High pressure materials as electrodes for lithium batteries: a computational and experimental approach

E. M. Arroyo y de Dompablo and U. Amador

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Morphological insights into polymer electrolyte membranes from SAXS and maximum entropy

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Oxygen deficiency in lithium ion materials

D. Pasero and A. R. West

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Lithium ion conducting Li_0.3La_0.567TiO₃ perovskite: neutron diffraction study of the quenched form

M. Sommariva and M. Catti

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Mechanism of lithium insertion-extraction in metallophosphates with olivine-like structure

N. Bramnik, K. Nikolowski and C. Baehtz

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The structural diversity of zincocenes: half-sandwich, silpped-sandwich and dimetallocene structures

E. Carmona, I. Resa and A. Rodriguez

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Tuning cooperative effects in azole based iron(II) spin crossover coordination polymers

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Photocrystallography with neutrons – light-induced structural changes in Na₂[Fe(CN)₅NO]·2D₂O

D. Schaniel, Th. Woike, J. Schefer, V. Petricek, K. W. Krämerd and H. Güdeld

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Very strong ferromagnetic interaction in a new asymmetrical binuclear μ-methoxo-bridged Mn(III) complex

C. Beghidja, G. Rogez, J. Kortus and R. Welter

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New compounds of L-alanine with inorganic materials

E. Tillmanns, M. Fleck and L. Bohaty

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Molecular recognition and selectivity in organic clathrates

L. R. Nassimbeni

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Polymorphism and structure-property relations in molecular crystals

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Computational investigations of the influence of polymorphism on the lattice dynamics of molecular organic crystals

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The packing of -OCH₃ substituted distyrylbenzenes: questions and answers

C. M. L. Vande Velde, H. J. Geise and F. Blockhuys

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A complex spin crossover scenario as seen by synchrotron diffraction and small angle neutron scattering

D. Chernyshov, K. W. Törnroos, B. Vangdal, H.-B. Bürgi, M. Hostettler and S. Grigoriev

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Structural investigation of light-induced metastable states

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Tuning the structure and magnetism of model systems under pressure

A. Harrison, G. Giriat, D. Allan, K. Kamenev and D. Middlemiss

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High pressure as a tool to study structure and function of molecular crystals

R. J. Angel, M. Bujak, C. Slebodnick, J. Zhao and B. Hanson

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Stability of the nanocrystalline LaMnO_3±δ under non-ambient conditions

S. Petrova, R. Zakharov, B. Gizhevskii, V. Pilyugin and V. Lisin

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In-situ X-ray diffraction measurements for monitoring carbide and silicide phase formation

W. P. Leroy, D. Deduytsche, C. Detavernier, R. L. Van Meirhaeghe, D. Poelman and C. Lavoie

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Neutron diffraction facilities for structural studies of crystals and fibres

V. T. Forsyth, S. A. Mason, M. G. Davidson and J. A. K. Howard

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New opportunities for neutron diffraction in structural science

J. Rodríguez-Carvajal

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Topaz: a single-crystal diffractometer for the spallation neutron source

T. F. Koetzle, R. Bau, C. Hoffmann, P. M. B. Piccoli and A. J. Schultz

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Incommensurate magnetic structure of PrPd₂Ge₂ from powder neutron diffraction

K. Halich and R. Welter

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Thermal expansion and atomic vibrations in CaWO₄ studied by neutron and synchrotron powder diffraction

A. Senyshyn, L. Vasylechko, H. Boysen, H. Ehrenberg, M. Hoelzel, T. Hansen and H. Fuess

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Superspace playground: on-line toys for aperiodic crystallographer

I. Orlov and G. Chapuis

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Teaching three-dimensionality and quantum chemistry by a concerted use of structural databases and of computational and molecular graphic tools

M. Milanesio, G. Croce and P. Ugliengo

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The STaRBURSTT – CyberInstrumentation Consortium – CyberEnabled crystallographic education

A. D. Hunter, M. Zeller, T. R. Wagner, M. Bond, R. J. Butcher, G. Crundwell, G. M. Ferrence, K. Kantardjieff, L. Ramirez, T. Higgins and P. Szalay

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Promoting science through art – the Chem-moo-stry Project

G. Barr and A. Parkin

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eCrystals: a route for open access to small molecule crystal structure data

S. Coles, M. Hursthouse, J. Frey, A. Milsted, L. Carr, M. Duke, T. Koch and E. Lyon

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Crystal-chemistry design of new single-phase multiferroics

M. Josse, O. Bidault, C. Elissalde, D. Michau, A. Simon, R. Von der Mühll and M. Maglione

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Complex structure and magnetism in perovskite manganite multiferroics

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Relaxor behaviour in the system (1−x)Ba_1−xBi_2x/3TiO₃ + xBa_1−yY_2y/3TiO₃

K. Taïbi, C. Abdellaoui, A. Guehria-Laidoudi, A. Simon and J. Ravez

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Proper ferroelectric transition in the multiferroic YMnO₃

G. Nénert, Y. Ren, M. Pollet, B. Hauback, I. P. R. de Moreira, S. Marinel, H. T. Stokes and T. T. M. Palstra

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Strain engineering of multiferroic thin films

C. J. M. Daumont, P. Fonteijn, B. Noheda and G. Catalan

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Refinement of Taka-amylase crystallized in microgravity environment at 1.0 Å resolution

A. Higashiura, H. Tanaka, K. Inaka, M. Sato, S. Sugiyama, S. Takahashi, M. Yamanaka, M. Motohara, S. Sano, T. Kobayashi, M. Suzuki, T. Tanaka and A. Nakagawa

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Trapping and mobility of soluble and insoluble impurities in ice monitored via cryo-synchrotron-tomography

M. M. Miedaner, T. Huthwelker, F. Enzmann, M. Kersten, M. Amman, A. Groso and M. Stampanoni

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Direct observation of elementary processes of crystal growth

N. N. Piskunova

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Crystal growth and replacement processes in the Ba-Sr-SO₄-CO₃-H₂O system

N. Sánchez- Pastor, C. M. Pina and L. Fernández-Díaz

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Controlling diffusion in gel-tube method

H. Tanaka, M. Yamanaka, K. Inaka, M. Sato, S. Takahashi, S. Sugiyama, S. Sano, M. Motohara, T. Kobayashi and T. Tanaka

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Crystallographic and X-ray diffraction analysis of metalloenzymes from purple sulphur bacterium

I. Tomcová, R. M. M. Branca, Cs. Bagyinka, G. Bodó and I. Kutá Smatanová

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TIM: a model protein for the study of crystal growth in space and gels

C. G. L. Vanhee, C. VandeWeerdt, D. Maes, L. Wyns and I. Zegers

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Design and construction of a microfluidic device for studying protein nucleation and crystallisation

R. Willaert, C. Vanhee, C. De Tandt, W. Ranson, R. Vounckx and L. Wyns

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A distributed web-based system for the management of high-throughput crystallization trials at the Oxford Protein Production Facility

R. M. Esnouf, J. M. Diprose, C. J. Mayo, I. M. Berry, T. S. Walter, R. J. Owens, E. Y. Jones, K. Harlos and D. I. Stuart

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New developments for automated protein crystallization in microplates

N. Gottschlich and U. Honisch

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Increasing crystallization trials productivity through imaging automation

C. Mallett, P. Le Magueres, E. Hnath and J. Xu

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Machine learning strategies for protein crystallization

M. Pérez-Priede and S. García-Granda

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Image analysis for monitoring crystal growth

S. B. Pothineni and V. S. Lamzin

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Installation of mail-in system at SPring-8 protein crystallography beamlines

K. Hasegawa, G. Ueno, N. Okazaki, H. Murakami and M. Yamamoto

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The macromolecular crystallography beamlines for Phase 1 at Diamond

K. McAuley, L. Duke, G. Evans, R. Flaig, A. Grant, T. Sorensen, G. Preece and R. Woolliscroft

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Complete automation of molecular replacement

A. A. Vagin, F. Long and G. N. Murshudov

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Remote services for model building in macromolecular crystallography

P. Venkataraman, G. Langer, F. Schmitz, A. Perrakis and V. Lamzin

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DNA & e-HTPX: high throughput and remote access protein crystallography

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Towards data management for PX structure determination with CCP4

W. Yang and P. Briggs

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Crosslinking of DNA duplexes: a novel binding mode by bisacridine derivatives

Y. Gan, C. J. Cardin and W. A. Denny

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Crystal structures of Homo sapiens cytoplasmic A site with and without the antibiotic apramycin

J. Kondo, A. Urzhumtsev and E. Westhof

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Conformational variability of DNA and comparison to RNA

B. Schneider and D. Svozil

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Crystal structures of d(CGAA) and d(CGAAGC): parallel-stranded duplexes and their dimer

S. Shimizu, T. Kobuna, T. Sunami, J. Kondo and T. Takénaka

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Incorporation of a disaccharide nucleoside into the backbone of double stranded DNA: crystallization and preliminary X-ray diffraction

K. Van Hecke, K. Uytterhoeven, S. N. Mikhailov, P. Herdewijn and L. Van Meervelt

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Advances in charge density studies of ultra high resolution protein structures

B. Guillot, A. Lagoutte, C. Jelsch, A. Podjarny and C. Lecomte

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Structural studies on collagen binding integrin I domains

A.-M. Brandt, J. Santeri Puranen, Y. Nymalm, T. Salminen and M. S. Johnson

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Elucidation of the molecular interaction mechanism between PAI-1 and a PAI-1 inhibiting antibody fragment Fab-55F4C12

M. Dewilde, A. Rabijns, H. Novoa de Armas and P. J. Declerck

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Associations between human paraoxonase and human phosphate binding protein

M. Elias, D. Rochu, F. Renault, C. Lecomte, P. Masson and E. Chabriere

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New insights into the quaternary structure of small heat shock proteins under stress investigated by small angle X-ray scattering

S. Finet, F. Skouri-Panet, S. Quévillon-Chéruel, M. Michiel and A. Tardieu

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High-salt peridinin-chlorophyll-protein from A. carterae: the structure of the monomeric antenna protein complex

E. Hofmann, T. Schulte, S. P. Sharples and R. G. Hiller

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The three dimensional structure of polycystin 1, gene expression from alternate coding frames in PKD1 and autoimmunity

R. Huether, W. L. Duax, V. Pletnev and W. Schultz

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Two different lipoamide dehydrogenases (E₃s) from Thermus thermophilus: crystal structures and their evolutionary relationship

E. C. M. Juan, H. Kondo, M. T. Hossain, W. Adachi, T. Nakai, N. Kamiya, R. Masui, S. Kuramitsu, K. Suzuki, T. Sekiguchi and A. Takénaka

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The arginine repressor of the hyperthermophile Thermotoga neapolitana: crystallization and preliminary X-ray diffraction analysis

J. Massant, E. Peeters, D. Charlier and D. Maes

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Structure and function of PKD-CBM44 and CBM30 modules of the bifunctional Clostridium thermocellum cellulase, CtCel9D-Cel44A

S. Najmudin, A. Carvalho, M. Romão, C. I. P. D. Guerreiro, J. A. M. Prates, M. A. S. Correia, V. Alves, L. M. A. Ferreira, H. Gilbert, D. N. Bolam and C. M. G. A. Fontes

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Towards atomic detail of intermediate filament structure

S. Nicolet, L. Kapinos, H. Bar, N. Mucke, J. Schumacher, H. Herrmann, U. Aebi and S. V. Strelkov

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Possible interactions between human mitochondrial thioredoxin 2 and human peroxiredoxin 5

A. Smeets, C. Evrard, B. Knoops and J.-P. Declercq

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Structural insight into intermediate filament assembly using small-angle X-ray scattering

A. V. Sokolova, L. Kreplak, L. P. Kurochkina, D. I. Svergun, T. Wedig, H. Herrmann, U. Aebi and S. V. Strelkov

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Structure of the insulin receptor ectodomain homodimer

N. McKern, M. Lawrence, V. Streltsov, M. Lou, T. Adams, G. Lovrecz, J. Bentley, P. Hoyne, M. Frenkel and C. Ward

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Structural studies on sterol carrier protein-2 from plants

L. Viitanen and T. Salminen

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The crystal structure of the Dps-2 from Deinococcus radiodurans

M. G. Cuypers, E. Mitchell, C. V. Romão and S. McSweeney

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Disulfide formation in gram positive bacteria: structure of a redox catalyst

B. Heras, L. Thöny-Meyer, N. Echols, T. Alber and J. L. Martin

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S. solfataricus DPS-like protein contains a ferritin-like di-iron binding site

C. M. Lawrence, G. H. Gauss, P. Benas, B. Wiedenheft, M. Young and T. Douglas

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Crystallization and preliminary X-ray diffraction analysis of the C-terminal domain of an archaeal transcription regulator

E. Peeters, D. Charlier and D. Maes

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Structure of UDP-N-acetylglucosamine enolpyruvyl transferase from Haemophilus influenzae in complex with UDP-N-acetylglucosamine and fosfomycin: X-ray crystal analysis & docking study

H.-J. Yoon and S. W. Suh

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Structure analysis of light harvesting complexes from the dinoflagellate Amphidinium carterae

S. Johanning, E. Schuhmacher, F. P. Sharples, R. G. Hiller and E. Hofmann

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Toward the getting of photosystem II core complex crystals from Pisum sativum

I. Kuta Smatanova, J. A. Gavira, P. Rezacova, F. Vacha and J. M. Garcia-Ruiz

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Coupling of electron transfer and proton uptake in the reaction center mutant L210DN of Rhodobacter sphaeroides

J. M. Stachnik, S. Hermes, D. Onidas, E. Hofmann and K. Gerwert

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Asymmetric distribution of cations binding sites in high resolution crystal structures of double-stranded gramicidin D complex with Na⁺ and K⁺

M. Szczesio, M. L. Glowka, A. Olczak, J. Bojarska and W. L. Duax

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Inhibitory complexes of N10-formyltetrahydrofolate synthetase indicate negative cooperativity between subunits

M. Bielak, G. Chai, K. Lewinski and L. Lebioda

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Structure of a novel acyltransferase

R. Bott, M. Saldajeno, G. Ganshaw, M. Cervin, G. Whited, W. Weyler, R. Sala, M. Soltis and M. Irimpan

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Structure and function of human PPTase: implications from ternary complexes

G. Bunkóczi, X. Wu, A. Joshi, S. Smith, F. von Delft and U. Oppermann

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Structure of Thermus thermophilus type 2 isopentenyl diphosphate isomerase inferred from crystallography and molecular dynamics

J. de Ruyck, J. Pouyez, S. C. Rothman, C. D. Poulter and J. Wouters

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Merging crystallography, site-directed mutagenesis and molecular modelling to unravel the regulatory mechanism of photosynthetic GAPDH

S. Fermani, F. Sparla, G. Falini, L. Martelli, M. Zaffagnini, A. Ripamonti, R. Casadio, P. Pupillo and P. Trost

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Structure of pteridine reductase (PTR1) from Trypanosoma brucei

P. K. Fyfe, A. Dawson, F. Gibellini, K. McLuskey, N. Sienkiewicz, A. H. Fairlamb and W. N. Hunter

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X-ray structure of a bound phosphonate transition state analog and enantioselectivity of Candida rugosa lipase toward chiral carboxylic acids

P. Grochulski, I. J. Colton and R. J. Kazlauskas

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SdsA1 from P. aeruginosa, defines a new mechanistic class of sulfatases

G. Hagelueken, T. A. Adams, L. Wiehlmann, U. Widow, H. Kolmar, B. Tümmler, D. W. Heinz and W.-D. Schubert

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Structure and mode of action of chagasin, a protease inhibitor from T. cruzi

M. Jaskolski, I. Redzynia, A. Ljunggren, M. Abrahamson and G. Bujacz

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Structure of the class D β-lactamase OXA-29, a different carbonated dimer

F. Kerff, R. Herman, E. Sauvage, M. Galleni and P. Charlier

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Fructan 1-exohydrolase IIa from Cichorium intybus in complex with ligands

W. Lammens, M. Verhaest, K. Le Roy, C. J. De Ranter, A. Van Laere, W. Van den Ende and A. Rabijns

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Crystal structure of plant asparaginase

K. Michalska, G. Bujacz and M. Jaskolski

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X-ray crystallographic analysis of type I pullulanases from Klebsiella pneumoniae and Bacillus subtilis

B. Mikami, D. Malle, H.-J. Yoon, E. Demirkan-Sarikaya, H. Iwamoto, Y. Katuya, K. Murata and S. Utsumi

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Three-dimensional structure of rat-liver acyl-CoA oxidase in complex with fatty acid

I. Miyahara, Y. Nakajima, K. Tokuoka, K. Hirotsu, Y. Nishina, K. Shiga, C. Setoyama, H. Tamaoki, H. Tojo and R. Miura

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Structural analysis of the Plasmodium falciparum cysteine protease falcipain-2

K. Nagarajan, T. Hogg, S. Herzberg, M. Wecke, C. Blohmke, C. Schmidt and R. Hilgenfeld

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Towards a functional mapping of the BLM helicase

P. Rigolet, S. Guo and X. G. Xi

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Crystal structures of two aldo-keto reductase enzymes from Arabidopsis thaliana

P. J. Simpson, O. C. Mather, C. M. Bunce, J. P. Ride and S. A. White

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A glycosyl hydrolase family 11 xylanase with an extended thumb region

E. Vandermarliere, S. Sansen, A. Rabijns and S. V. Strelkov

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New catalytic strategies for leaving group activation in nucleoside hydrolases

W. Versées, S. Loverix, A. Vandemeulebroucke, J. Barlow, P. Geerlings and J. Steyaert

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Tailor made activation segment for autoinhibition

M. C. Wahl, R. Jauch, M.-K. Cho, S. Jäkel, K. Schreiter, C. Netter, B. Aicher, M. Zweckstetter and H. Jäckle

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Crystallographic studies of 1,3-β glucanase from potato

A. Wojtkowiak, K. Witek, J. Hennig and M. Jaskolski

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Cost, space, time: what are the limits for publishable structures?

N. Dhaliwal, L. M. Daniels, R. E. Benson, J. D. Ferrara and K. Sasaki

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X-ray diffraction in single crystals under the influence of temperature gradient

V. R. Kocharyan and S. N. Noreyan

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DHS1100 - a new high temperature attachment for 4-circle X-ray goniometers

P. Kotnik, P. Hofbauer, R. Resel, M. Koini, T. Haber and J. Keckes

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Growth of CsI(Tl) scintillation film

A. M. Lebedinsky, A. Fedorov, A. Ananenko, P. Mateychenko and Yu. Vidaj

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Atomic structure of fluorapatite (100) water interface: a grazing incidence X-ray diffraction (GIXRD) study

A. Pareek, U. Magdans, H. Gies, X. Torrelles and J. Rius

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Front coupling waveguides for present and future X-ray sources

D. Pelliccia, A. Cedola, F. Scarinci, M. Ilie, I. Bukreeva, W. Jark and S. Lagomarsino

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First results of Åxiom 200, a high-speed, photon-counting X-ray area detector

B. Schierbeek, M. Benning, Y. Diawara and R. Durst

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Structure of a group III truncated hemoglobin from Camphylobacter jejuni

M. Bolognesi, M. Nardini, A. Pesce and M. Guertin

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Structural and functional characterization of two new class D β-lactamases: OXA-46 and OXA-48

V. Calderone, F. Giuliani, M. Benvenuti, J. D. Docquier, P. Nordmann, G. M. Rossolini and S. Mangani

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Structural studies of the B. pertussis extracytoplasmic solute receptor DctP7

P. Rucktooa, I. Huvent, F. Jacob-Dubuisson, V. Villeret and C. Bompard

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The penicillin-binding proteins of class C1

E. Sauvage, F. Kerff, R. Pratt and P. Charlier

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Structural characterization of bioactive glasses

G. Croce, D. Viterbo, M. Milanesio, B. Onida and E. Verné

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X-ray line profile analysis of nanostructured oxytocin

A. Mishnev and E. Ivanovskis

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Molecular resolution imaging of growing triosephosphate isomerase crystals

M. Sleutel, C. VandeWeerdt, D. Maes, L. Wyns and R. Willaert

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Aurophilic interactions in polynuclear Au(I) complexes with phosphine ligands containing imidazole rings

F. Bachechia, A. Burini and R. Galassi

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Non crystallographic rotations observed between four o-halogen substituted tris-phenoxy-1,3,5-triazine derivatives

N. Báthori, M. Czugler, P. Bombicz and A. Kálmán

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Dynamic charge density, a simple approach to chemical reaction mechanism

P. J. Becker, N. E. Ghermani, M. Ehrahardt, A. Hees and J. S. Richard

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Hydrogen bonding in an organic-inorganic hybrid compound

L. Benguedouar and N. Benalicherif

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First electrosynthesis and structural characterization of an aryl ether trimer

S. Besbes-Hentati, H. Said and M. Bouvet

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Supramolecular structures of thymine derivatives

T. Borowiak and G. Dutkiewicz

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Conformation angles and hydrogen bond in DL-phenylglycinium chloride

S. Bouacida, H. Merazig and P. Benard-Rocherulle

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Investigation of I⋯S interactions by charge density studies

S. Cameron, J. Ferrara, E. Mesa Gonzalez, J. Passmore and D. Wolstenholme

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The nature of the C—H⋯F interaction found in molecular crystals evaluated by ab initio calculations

E. D'Oria and J. J. Novoa

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Folding, cofactor binding, catalysis, oligomerization and function of 13000 short chain oxidoreductase enzymes

W. L. Duax, R. Huether, V. Pletnev, C. M. Weeks, T. Umland, Q. Mao and L. Gambino

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Structural studies of chiral resolution

U. Englert, I. Kalf and R. Wang

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Close packing vs specific interactions: para-disubstituted benzene derivatives

L. Fábián and S. Motherwell

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π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs)

P. Gilli, V. Bertolasi, V. Ferretti and L. Pretto

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X-ray diffraction study of chemical bonds under external electric field

S. Gorfman, O. Schmidt, M. Schmidt, H. Borrmann, Y. Grin, V. Tsirelson and U. Pietsch

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Comparison of crystal structures formed by similar molecules with different functional groups

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Structural studies of thioredoxins and associated inhibitor based complexes

G. Hall, A. Westwell and J. Emsley

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Simulation of the absorption of acetone on ice at surfaces, bulk ice and small-angle grain boundaries

S. M. Hammer, R. Panisch, M. Kobus and M. U. Schmidt

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Ligand complexes of von Willebrand factor domain A1

E. Hooley and J. Emsley

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Tryptophan rotamers and native-state dynamics studied by molecular dynamics

S. L. C. Moors, M. Hellings, M. De Maeyer, Y. Engelborghs and A. Ceulemans

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C—H⋯F, N/C—H⋯S and C—H⋯π interactions in 5-fluoro-1H-indole-2,3-dione-3-thiosemicarbazones

S. Özbey, F. B. Kaynak, L. Eriksson, N. Karali and A. Gürsoy

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N,N-Bis(2-hdroxybenzylidene)phenylen-1,2-diamine

C. Kazak, N. B. Arslan, M. Genç, S. Servı and O. Büyükgüngör

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Molecular modelling of hydrogen bonding in urea and dimethyl urea

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Structural insight into protein stability – bovine pancreatic ribonuclease A variants studies

K. Kurpiewska, J. Font, M. Ribó, M. Vilanova and K. Lewiński

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Macrophagic metalloelastase (MMP-12): determinants of ligand binding

M. Maletta, Y. Kwong, M. LoConte, M. Fragai, C. Nativi, C. Luchinat and I. Bertini

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dSNAP: applications of cluster analysis to real chemical and structural problems

A. Parkin, A. Collins, G. Barr, W. Dong, C. J. Gilmore, D. Sneddon and C. C. Wilson

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Factors controlling the helicity and stacking of N-(1,8-naphthaloyl)-2-aminobenzoic acid esters: interplay between weak hydrogen bonds, π–π stacking and dipolar interactions

A. Plutecka, U. Rychlewska and M. Hoffmann

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Structure of non-structural protein 9 of human coronavirus 229E

R. Ponnusamy, J. R. Mesters, R. Moll and R. Hilgenfeld

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A-type amylose single crystals: unit cell refinement from synchrotron radiation microdiffraction data

D. Popov, M. Burghammer, A. Buléon, N. Montesanti, J. L. Putaux and C. Riekel

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Non-covalent interactions in 2-phenylethylammonium perhalometallates

M. Rademeyer, C. P. Tsouris, D. Billing and A. Lemmerer

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Crystal structure of the bacterial protein HemS in complex with haem

S. Schneider, P. Barker, K. Sharp and M. Paoli

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Hydrogen bonded hexagonal rings: effect on molecular geometry

C. H. Schwalbe, R. Jin, H. Wang, K. Zhao and Y. F. Wang

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X-ray diffraction and quantum chemical studies of interactions in polymorphs

G. Wójcik, I. Mossakowska, J. Szymczak, S. Roszak and J. Leszczynski

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Explaining the packing of tetrahedral molecules

A. Wolf, J. Glinnemann, M. U. Schmidt and J. Köhler

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Structure-based re-engineering of InlA – a invasin of Listeria monocytogenes

T. Wollert, D. W. Heinz and W.-D. Schubert

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Modulations in AlB₂-type rare earth germanides and silicides

J. Christensen, S. Lidin, B. Malaman and G. Venturini

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(3+2)-dimensional superspace approach of the structure of lévyclaudite-(Sb), a member of the cylindrite-type minerals

M. Evain, V. Petricek and Y. Moëlo

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The organic modulated structure of 3,4-diphenyl-2a,5a,6,7,8,8a,8b-heptahydro-furo[4,3,2-de]chromen-2-one

N. Guiblin, C. Fuhrer, R. Häner, H. Stoeckli-Evans, K. Schenk and G. Chapuis

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An alternative approach for the description of modulated structures using differential geometry

P. Kocian and G. Chapuis

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2T and 4T polytypes of Ca(Ge_x, Si_1−x)O₃ wollastonite

F. Nishi, T. Kuribayashi, Y. Kudoh and R. Miyawaki

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Apparently complex high-pressure phases of some elements as simple modulated structures

J. M. Perez-Mato, L. Elcoro, M. Aroyo, H. Katzke and P. Tolédano

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Quantitative explanation for the stacking disorder in tris(bicyclo[2.2.1]hexeno)benzene

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Neutron structure investigation of Ca₂Y₂Cu₅O₁₀

J. Thar, R. Müller, S. Mattauch, B. Büchner and G. Roth

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On the symmetry of magnetic structures in terms of the fibre bundles

J. Warczewski and P. Gusin

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The modulated structure of the holographic data stoage material Sr_xBa_1−xNb₂O₆ investigated by neutron and X-ray diffraction

Th. Woike, D. Schaniel, J. Schefer, P. Fertey, N. K. Hansen, V. Petricek, M. Imlau and M. Wöhlecke

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Arteriosclerotic aorta calcifications characterized by TEM and electron crystallography

T. E. Weirich, A. Aretz, G. Schlieper, J. Mayer, M. Ketteler and J. Floege

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Structure of Cs_xNb_2.54W_2.46O₁₄ determined by exit wave reconstruction

T. E. Weirich, J. Barthel, G. Cox, H. Hibst and A. Thust

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On distortion of Kikuchi lines

R. Karakhanyan and K. Karakhanyan

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Powder X-ray microdiffraction in research of wall painting damage by salts

E. Kotulanova, P. Bezdicka, T. Grygar, S. V. Grunwaldova, D. Hradil and J. Hradilova

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Moroccan geometric patterns

A. Thalal, A. Jali and J. Benatia

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KMnVO₄ and Na₃MnV₂O_7.5: new oxygen-deficient perovskite type structures

H. Ben Yahia, E. Gaudin and J. Darriet

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Superionic phase-transitions in the minerals of the pearceite-polybasite group

L. Bindi, M. Evain, A. Pradel, S. Albert, M. Ribes and S. Menchetti

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Transition of laser-treated dental enamel

U. Bismayer, B. Mihailova, S. Zhang, A. Klocke and B. Gasharova

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Iron carbide phase transitions during high-temperature Fischer-Tropsch

H. E. du Plessis, J. P. R. de Villiers, G. J. Kruger and J. J. Retief

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Cu⁺ ordering in Cu₆PS₅I and Cu₆PSe₅I ionic conductors

A. Gagor, A. Pietraszko, D. Kaynts and V. Panko

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Quantitative detection of intermediate phases in welds of Fe-Cr-Ni-C alloys

J. Garin and R. Mannheim

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Nanostructured ordering in natural fullerene-like carbon

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The transition from alluaudite- to wyllieite-type phosphates: which is the role really played by aluminium?

F. Hatert and A.-M. Fransolet

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Structure and the phase transitions of some crystals in system Fe-WC-Me after discrete plasma influence

A. Ilyasov, A. Ryzhkin and V. Ilyasov

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Structural aspects of solid state amorphization in single crystalline samples of Eu₂(MoO₄)₃

E. Kudrenko, I. Shmytko, V. Sinizyn and E. Ponyatovsky

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Phonon softening in alpha-U metal at low temperature

J.-Cl. Marmeggi, G. H. Lander and R. Currat

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Chemically-induced renormalization phenomena in relaxor-ferroelectric PbSc_0.5Ta_0.5O₃

B. Mihailova, B. Güttler, M. Gospodinov and U. Bismayer

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Secondary ordering in ternary alloy CuMnPt₆

K. Ohshima, M. Takahashi, A. Kumar Saha and H. Iwasaki

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Interpretation of diffuse scattering in Pb(Sc_1/2Ta_1/2)O₃ via Monte Carlo simulation

M. Paściak, M. Wolcyrz and A. Pietraszko

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Pressure effects on maghemite (γ-Fe₂O₃) with an ordered vacancy sub-lattice

V. Pischedda, G. R. Hearne, S. R. Naidoo, G. N. Kryukova, S. V. Tsybulya and E. V. Boldyreva

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Observation of the second percolation threshold during recrystallization in amorphous pyrochlore

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Effect of hydrostatic pressure up to 6 GPa on the crystal structures of ammonium and sodium hexafluorosilicates, (NH₄)₂SiF₆ and Na₂SiF₆ a phase transition in (NH₄)₂SiF₆ at 0.2–0.3 GPa

T. Shakhtshneider, E. Boldyreva, H. Sowa and H. Ahsbahs

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Low temperature phase transition in BaCuSi₂O₆

K. Sparta, M. Merz, G. Roth, R. Stern, R. Cerny and T. Kimura

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X-ray and neutron diffraction studies on cation distribution in the LiMn₂O₄/LiFe₅O₈ spinel solid solutions

E. Wolska, J. Darul, W. Nowicki, P. Piszora, M. Tovar, O. Prokhnenko, C. Baehtz and M. Knapp

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Modified Voronoi approach to the analysis of crystal structures: binary intermetallics

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Intermediate quasiperiodic-periodic structures

S. I. Ben-Abraham and A. Quandt

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Polydisperse TiO₂ particles with metal-modified surface: XRD and AFM studies

T. Bezrodna, G. Puchkovska, V. Shymanovska and A. Hauser

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High-resolution X-ray diffraction to elucidate homogeneity ranges in intermetallics

H. Borrmann, F. Haarmann, O. Sichevich and Yu. Grin

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Refinement of the crystal structure of a terrestrial 6H-SiC

G. C. Capitani, G. Tempesta, S. Di Pierro and E. Scandale

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Structure systematics in K-Co-Mo-O compounds

J. M. Engel, H. Ehrenberg and H. Fuess

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Crystal chemical features of Na₂FeTi(PO₄)₃ and Rb₂FeTi(PO₄)₃ orthophosphates with NZP structure type

E. Gobechiya, Yu. Kabalov, E. Asabina and V. Pet'kov

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Real structure investigations on oxonitridosilicates MSi₂O₂N₂ (M = Ca, Sr, Ba, Eu)

O. Oeckler, F. Stadler and W. Schnick

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Crystallochemical analysis of inorganic salts with pyramidal anions M_y(LO₃)_z (L = S, Se, Te, Cl, Br, I)

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Mixed trielides A^IIM^III₂ (A^II = Ca, Sr, Ba; M^III = Al, Ga, In): a structural chemical and theoretical study

C. Röhr, W. Harms and M. Wendorff

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Solid state synthesis and crystal chemistry of new fillowite-type phosphates

M. Rondeux and F. Hatert

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Pb₃₁O₂₂Br₁₀Cl₈ – the new lead-oxyhalide compound with the most complex tetrahedral structure

O. I. Siidra, S. V. Krivovichev, E. V. Nazarchuk, P. C. Burns and W. Depmeier

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Crystal structures and topology of two modifications of holtite

N. V. Zubkova, D. Yu. Pushcharovsky, S. S. Kazantsev, Yu. K. Kabalov and A. V. Voloshin

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Radiation-induced debromination monitored by polarized X-ray absorption spectroscopy

M. Fleurant, F. Camus, C. Besnard, E. Ennifar, P. Dumas, P. Pattison and M. Schiltz

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A comparative UV-Vis and EXAFS investigation of the coordination of the uranyl ion UO₂²⁺ in solution

K. Servaes, C. Hennig, R. Van Deun and C. Görller-Walrand

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EXAFS study of the phosphodiester bond cleavage by Mo-containing polyoxometallates

R. Van Deun, E. Cartuyvels, S. Nikitenko, C. Hennig and T. Parac-Vogt

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X-ray diffraction techniques applied to prospection of fluvial aggregates

I. Blanco-García, J. Elsen, M. Rodas, C. Sánchez and J. Alonso-Azcárate

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Examinations of the structure of highly polymerized alkali containing C-S-H phases

M. Bornefeld, B. Gasharova, K. Garbev, S. Mangold and P. Stemmermann

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An unusual phase transition Ca₂[SiO₃(OH)](OH) – Ca₆[Si₂O₇][SiO₄](OH)₂ (dellaite) as revealed by single crystal IR and X-ray powder diffraction

K. Garbev, B. Gasharova, G. Beuchle and P. Stemmermann

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Raman and IR spectroscopic study of nano-crystalline calcium silicate hydrates of type C-S-H(I)

B. Gasharova, K. Garbev, M. Bornefeld, L. Black and P. Stemmermann

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Radiospectroscopy of vein quartz of the subpolar ural deposits

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Quantitative analysis of multi-phase steels of ferrite and austenite

P. Liu and F. S. Khokhar

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Use of quantitative X-ray diffraction for academic and industrial applications

G. Mertens, E. Zeelmaekers and L. Machiels

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X-ray and scanning electronic microscopy study of the thermal treatment influences on morphology and mineral composition of Algerian kieselguhr

R. Mousser, R. Amri, A. Mousser and L. Atoui

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Three-dimensional examination of birefringent materials using a new optical technique

L. A. Pajdzik and A. M. Glazer

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Synthesis, characterization and properties of alkali and earth-alkalisulfonates

H. Pöllmann, S. Stöber, Ch. Wagner and K. Merzweiler

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The crystal structure of manganese modified brownmillerite solid solutions

S. Stöber and H. Pöllmann

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Dynamic method for measurement of piezoelectric coefficients

R. Ochrombel, M. Lindner and L. Bohatý

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Polarized resonant scattering in macromolecular crystallography

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Synchrotron-radiation computed laminography – a new method for the three-dimensional imaging of flat objects

L. Helfen, T. Baumbach, P. Pernot and P. Mikulik

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Crystal structure of Zr-doped KTiOPO₄ crystals at 293 and 105 K temperatures

O. Alekseeva, N. Sorokina, A. Pietraszko, M. Rabadanov, V. Voronkova and E. Agapova

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Structural and compositional study by SFM of the crystal surfaces of halogen-bonded hybrid materials containing long-chain perfluorocarbons

V. Arima, G. Maruccio, P. Metrangolo, R. Liantonio, T. Pilati, R. Cingolani, G. Resnati and R. Rinaldi

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Analysis of solid conductors by means of Voronoi-Dirichlet partition

O. A. Blatova, V. A. Blatov, G. Ilyushin, L. N. Dem'yanets and A. K. Ivanov-Shits

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Mesoionic fluorescent organic yellow pigment

J. Brüning, M. Bolte, C. Plüg, T. Metz and M. U. Schmidt

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4-Bromo-2-{[4-(3-metistyl-3-methyl-cyclobutyl)thiazol-2-yl]hydrazono-methyl}phenol, with N—H⋯N, C—H⋯π and π⋯π interactions]

N. Çalişkan and S. S. Soylu

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New open-framework germanates with different types of inorganic molecular clusters

K. E. Christensen, L. Shi, T. Ren and X. Zou

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Novel propeller-like phosphorus containing compounds

A. B. Dobrynin, I. A. Litvinov, A. T. Gubaidullin, Y. Yu. Borisova, L. M. Burnaeva and V. F. Mironov

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The phenomenon of dynamic cooperativity in the solid state

L. Dobrzańska, G. O. Lloyd and L. J. Barbour

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Recognition of structural helices responsible for optical activity of selected urea adducts

A. Krawczuk and K. Stadnicka

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Halogen bonding-based crystal engineering: from Borromean links to homochiral double helices

P. Metrangolo, F. Meyer, T. Pilati and G. Resnati

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Diffuse scattering and local structure in distorted perovskite crystal Na_0.5Bi_0.5TiO₃

A. Pietraszko and A. Gagor

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Synthesis and crystal structure of layered zinc phosphates: accurate hydrogen bonding in (NH₄)Zn₂(PO₄)(HPO₄)

B. Ramajo-Escalera, A. Espina, S. A. Khainakov, J. R. García, L. Roces and S. García-Granda

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Molecular complexes of homologous alkanedicarboxylic acids and D-tartaric acid with isoniazid

Yu. Simonov, V. Kravtsov, E. Ganin and T. Lis

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Tunable organic clay mimic structures with di(primary ammonium) dicarboxylates

T. Yuge, M. Miyata and N. Tohnai

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Isostructurality of co-crystals of an ester substituted dinitro calixarene host

P. Bombicz, I. Csöregh, T. Gruber, E. Weber and A. Kálmán

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Monoclinic and tetragonal polymorphs of the sulfathiazole (1:1) adduct with pyridine

T. Drebushchak, M. Mikhailenko and E. Boldyreva

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Further development of the general rule on correlation between host–guest ratio and topology of polymorphic inclusion compounds and their crystallization temperatures

B. T. Ibragimov

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New class of chiral, inclusion forming crystals with host molecules derived from trans-1,2-diaminocyclohexane

U. Rychlewska and A. Plutecka

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A new salt of halofantrine

A. Semeniuk, A. Niedospial, J. Kalinowska-Tluscik and B. J. Oleksyn

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Nanotubular cyclodextrin dimers

B. Benmerad, D. Armspach, F. Balegroune, D. Matt and L. Toupet

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Molecular conformation and crystal packing studies on η³-η⁵ Ni complexes of N-heterocyclic carbenes

M. T. Duarte, L. C. Silva, P. T. Gomes, L. F. Veiros, S. I. Pascu and S. Namorado

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Supramolecular arrangements of titanium dichloride ketimide complexes with Cp type ligands

J. L. Ferreira da Silva, M. T. Duarte, A. M. Martins and S. S. Rodrigues

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Supramolecular cocrystallisation: a new paradigm for the organic solid state

T. Jacobs, G. O. Lloyd, M. U. Bredenkamp and L. J. Barbour

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Supermolecular constitution of natural organic minerals

O. V. Kovaleva and Ye. A. Golubev

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Gas storage by inclusion compounds

T. le Roex and L. Nassimbeni

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Supramolecular chemistry of pyridine- and pyrazine-carboxylic acids with Cu(I)

N. M. Sanchez Ballester, M. R. J. Elsegood and M. B. Smith

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Structural study of a designed series of compounds featuring rigid molecular geometry and specific fluorine substitution

A. Schwarzer and E. Weber

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Inclusion properties of quinolines by a diol host compound

H. Su and L. R. Nassimbeni

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Self assembly of palladium complexes of azacalix[4]arenes

K. Suwinska, O. Danylyuk, V. Boyko, R. Rodik and V. Kalchenko

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The constructions of algebraic geometry and symmetry laws of gas hydrate structure

A. L. Talis, O. A. Belyaev, I. A. Ronova, A. A. Reu and G. F. Tereschenko

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Crystal engineering with tricyclic quinazoline derivatives

K. K. Turgunov, A. Tojiboev and B. Tashkhodjaev

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Crystal structure prediction of the series of α-amino acids

T. G. Cooper, G. M. Day, W. Jones and W. D. S. Motherwell

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Importance of molecular shape in the overall stability of hydrogen bond motifs in the crystal structures of various carbamazepine type drugs

A. J. Cruz-Cabeza, G. M. Day, W. D. S. Motherwell and W. Jones

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Monte-Carlo simulation of the incommensurate structure of p-azoxyphenetol

E. Germaneau and G. Chapuis

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Recent advances in crystal structure prediction: the prediction of enantiopure separation

M. D. Gourlay, J. Kendrick and F. J. J. Leusen

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Ab initio structure solution from powder diffraction data using charge flipping

Ch. Baerlocher, L. B. McCusker and L. Palatinus

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Studies of two polymorphic systems: 2-chloro-4-nitrobenzoic acid and (2-furyl) oxoacetamide

I. Barsky, J. Bernstein and P. W. Stephens

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Extracting structural information from protein powder diffraction data

F. Camus, C. Besnard, M. Fleurant, I. Margiolaki, J. P. Wright, P. Pattison and M. Schiltz

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Crystallographic study and comparisons of compounds A₂Sr₂B₂C₂O_x

B. Eggonopoulos-Papadopoulos, A. C. Stergiou and C. A. Stergiou

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Effects of alloying on magnetocaloric characteristics of Gd₅(Si₂Ge₂)

Y. Elereman, A. Yucel and S. Aksoy

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Structural investigation of amorphous Li₂O-WO₃-B₂O₃ glass

K. El-Sayed, A. Aboushama and H. Doweidar

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The crystal structure of aspartame anhydrate from powder diffraction data

C. Guguta, H. Meekes and R. de Gelder

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Protein powder diffraction at cryocooled conditions

M. Jenner, I. Margiolaki, A. Fitch and J. Wright

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X-ray powder diffraction study of hydrogel chitosan membranes

W. Maniukiewicz and Z. Modrzejewska

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Using preferred orientation to resolve overlapping reflections

L. Massüger, L. B. McCusker and Ch. Baerlocher

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Structures of defect perovskites in the SrO–ZrO₂–Nb₂O₅ system

S. Schmid and I. Barisic

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Triangular copper(II) TPPZ supra-molecular species: anion encapsulation

L. Schmitt and H. Stoeckli-Evans

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New 1D, 2D and 3D chiral MOF's based on cyclohexane-1,2-diamine

O. Sereda and H. Stoeckli-Evans

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Atomic and domain structure of the low temperature phase of barium metagermanate

D. M. Többens, V. Kahlenberg, Ch. Gspan and G. Kothleitner

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Polymorphism in 4-methoxy-3-nitrobenzaldehyde

S. Wishkerman, J. Bernstein and P. W. Stephens

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Analysis of structural electrical and optical properties of sol–gel titanium oxide (TiO₂) thin films

R. Mechiakh, F. Meriche, R. Gheriani, R. Bensaha, R. Kremer and A. Boudrioua

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Preferred orientation studies on nanomaterials

J. te Nijenhuis, I. Dragomir-Cernatescu and K. Macchiarola

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Nanostructure and peculiarities of X-ray powder diffraction patterns of low temperature Al₂O₃ polymorphs

S. Tsybulya and G. Kryukova

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PURY: a general parameter set generator for geometry of macromolecular structures

M. Andrejasic and D. Turk

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Patterson deconvolution and SAD phasing in IL MILIONE

M. C. Burla, R. Caliandro, B. Carrozzini, G. L. Cascarano, L. De Caro, C. Giacovazzo, G. Polidori and D. Siliqi

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IL MILIONE: a new suite for crystal structure solution

G. L. Cascarano, M. C. Burla, R. Caliandro, M. Camalli, B. Carrozzini, L. De Caro, C. Giacovazzo, G. Polidori, D. Siliqi and R. Spagna

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Ligand pose analysis using Fourier 'difference of difference' analysis

B. P. K. Kelley and J. Nettles

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Automatic building of nucleic acids structures

F. Pavelcik and B. Schneider

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Recent developments in version 6.0 of the CCP4 crystallographic program suite

F. Remacle and P. J. Briggs

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Low resolution ab initio phasing of Sarcocystis muris lectin SML-2

A. Urzhumtsev, J. J. Müller, N. Lunina, E. Weckert, U. Heinemann and V. Y. Lunin

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Investigating the molecular formation properties of ethyl 4-(2-oxobenzothiazolin-3-yl) butanoate using PM3, AM1, MNDO methods

F. Baysen and N. Dilek

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Order and disorder in a Mn-based Prussian Blue analogue: synchrotron diffraction and magnetic susceptibility study

D. Chernyshov, H.-B. Bürgi, C. Ambrus, J. Hauser and S. Decurtins

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Advanced automated charge density refinement & interaction energy analyses

C. Jelsch, A. Lagoutte, B. Guillot, V. Pichon-Pesme and C. Lecomte

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Investigation of different substituents' affects to the crystal and molecular structures in some anesthetic compounds

Y. Ozcan, H. Malkas, T. Ayerden, S. Bayari and S. Ide

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Accumulation & inversion of the normal matrix using an atomic nearest neighbour sparsity scheme and an analysis of the effect of using such a scheme

S. Pantos, D. J. Watkin and R. I. Cooper

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Olex²: a comprehensive molecular graphics tool for small-molecule structures

H. Puschmann and O. Dolomanov

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Small molecule crystallography for the future

L. J. Bourhis, D. Watkin, J. Howard, H. Puschmann and M. Sadki

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Modelling bound ligands with ARP/wARP

G. X. Evrard, G. G. Langer, A. Perrakis and V. S. Lamzin

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ROTFINDER: a python graphical user interface to perform molecular replacement

S. García-Granda and L. Roces

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A model for coalescing distributed data ontologies

S. Hall, N. Spadaccini and J. Westbrook

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High resolution crystallography & electrostatic interaction energy computation

A. Lagoutte, B. Guillot, V. Pichon-Pesme, S. Pillet, C. Jelsch and C. Lecomte

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Recognition of secondary structural elements in low-resolution crystallographic electron density maps

G. G. Langer, O. V. Kirillova and V. S. Lamzin

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HAPPy – an experimental phasing and model building pipeline from CCP4

D. Rolfe, C. Ballard and P. Emsley

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Open Source software for small molecule crystallography

M. Sadki, D. Watkin, L. Bourhis, H. Puschmann and J. Howard

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dSNAP: working towards automatic interpretation of structural chemistry

D. Sneddon, G. Barr, A. Collins, W. Dong, C. J. Gilmore, A. Parkin and C. C. Wilson

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An analysis of ligand structures in the Protein Data Bank

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The CCP14: freely available crystallographic software for academia (collaborative computational project number 14)

R. Stephenson, J. Cockcroft, D. Watkin and B. Cernik

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Bijvoet revisited. A Python class to check Friedel pairs

L. Torre-Fernández and S. García-Granda

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The CRYSTALBUILDER project: an easy way for single crystal structure analysis

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Automated ligand refinement with a combined force field and shape potential

S. Wlodek, A. G. Skillman and A. Nicholls

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The control of X-ray diffracted beam by the surface acoustic wave in the grazing geometry

G. Khachaturyan and L. Levonyan

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The formation of the X-ray phase contrast under the diffraction focusing of the spherical wave

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Birefringence in multiple X-ray scatterings deduced from the alternative theory of Pendelloesung beat

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Multilayer optic based components for synchrotron sources

P. U. Pennartz, N. Grupido, B. Verman and Y. Platonov

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X-ray diffraction and Raman spectroscopy studies of high-pressure polymorphs of L- and DL-serine

E. Boldyreva, T. Drebushchak, H. Sowa, S. Goryainov, V. Chernyshev, E. Kolesnik, H. Ahsbahs and V. Dmitriev

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Simple metals at high pressure: the Fermi sphere – Brillouin zone concept

V. F. Degtyareva

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BRIZ: a visualization program for Brillouin zone – Fermi sphere configuration

V. F. Degtyareva and I. S. Smirnova

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Beating the miscibility barrier between iron group elements and magnesium by high-pressure alloying

L. Dubrovinskaia, N. Dubrovinsky, I. Kantor, I. Abrikosov, L. Vitos, R. Ahuja, W. A. Crichton and V. Dmitriev

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Low-symmetry structures in the Zr-rich side of the pressure-temperature-composition phase diagram of Pb(Zr_1−xTi_x)O₃

G. Fraysse, J. Haines, V. Bornand, M. Pintard, P. Papet and S. Hull

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On the compression mechanism of FeF₃

J.-E. Jørgensen and R. I. Smith

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Structural and electronic properties of ferropericlase at high pressures

I. Kantor, L. Dubrovinsky and C. McCammon

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Sound wave velocities of Fe-Ni alloy at high pressure and temperature

A. Kantor, L. Dubrovinsky, I. Kantor, A. Kurnosov, A. Kuznetsov, N. Dubrovinskaia and M. Krisch

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High-pressure structural, electronic and magnetic transformations in compound iron oxides

I. S. Lyubutin and A. G. Gavriliuk

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The crystal structure of the LEP compound PbBi₂S₄ (galenobismutite) at the hydrostatic pressures between 0 and 10 GPa

E. Makovicky, L. A. Olsen, L. Lundegaard and T. Balic-Z˘unic´

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Change of real structure during growth of spherulite crystals in amorphous selenium films

V. Malkov, A. Malkov, O. Malkov, V. Pushin and B. Shulgin

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Indestructive technique for elastic uniaxial stress of monocrystals

N. Minina, N. Brandt, A. Savin and I. Berman

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Controlled-temperature diffraction experiments on samples in glass capillaries

J. Noreland, M. Fransen, R. Glazer and J. Van Mechelen

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Valence and spin states of iron in (Mg,Fe)SiO₃ perovskite and post-perovskite at pressures of the Earth's lower mantle

A. R. Oganov and F. Zhang

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Investigation of Mn site configuration in wurtzite and rock-salt Zn_1−xMn_xO by means of XAS experiments under pressure

A. Polian, J. Pellicer-Porres, J. A. Sans, J. F. Sanchez-Royo, A. Segura, J. P. Itié, A. M. Flank and P. Lagarde

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Evidence for a mesomorphic phase in precisely branched polyethylenes

B. Goderis, M. Basiura, V. B. F. Mathot, J. Sworen and K. Wagener

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Time-resolved SAXS study of the formation of resorcinol-formaldehyde aqueous gels

N. Job, C. Gommes, B. Goderis, R. Pirard and J.-P. Pirard

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Effect of annealing on the microphase separation of polyurethane and polyurethaneurea elastomers

S. K. Mohamed, B. Goderis and H. Reynaers

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A model of the solution structure of human Pex5p obtained by small angle X-ray scattering

K. Shiozawa, P. Konarev, C. Neufeld, W. A. Stanley, M. Wilmanns and D. I. Svergun

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Nanocarbon thin films prepared at room temperature by synchrotron-radiation-stimulated photochemical reaction

H. Miki and S. Imai

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Synthesis and crystal structural of two metal-3,4-xylidinium cyclohexaphosphates

S. Abid, O. Amri and M. Rzaigui

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Crystal structures and thermal behavior of bis[dibenzyldimethylammonium]CuBr₄ and bis[dibenzyldimethylammonium]CuCl₄ crystallized from acetonitrile and dilute HX solutions

S. Busi, M. Lahtinen, J. Valkonen and K. Rissanen

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Structural characterization of a new nickel(II) hybrid vanadate: Ni₈(4,4′-Bpy)₁₆V₂₄O₆₈

R. Fernández de Luis, M. K. Urtiaga, J. L. Mesa, M. I. Arriortua and T. Rojo

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Characterization of fibrous minerals by Raman spectroscopy

E. Fornero, S. Cairo, M. Causà, E. Belluso, E. Orlando and C. Rinaudo

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Organic/inorganic hybrid materials containing benzyldimethyl-n-alkylammonium haloplumbates with n = 2–4

M. Hodorowicz and K. Stadnicka

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Temperature dependant phase transitions of organic-inorganic hybrid perovskites

A. Lemmerer and D. Billing

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Hydrothermal synthesis and crystal structure of a new family of lanthanide phosphonates: [H₃N(CH₂)₄NH₃]Ln[hedpH₂][hedpH]

L. Roces, S. García-Granda, J. R. García, F. Liu, L. D. Carlos and J. Rocha

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Packing behaviour in pseudo Vaska-type complexes

A. Roodt, A. Muller, S. Otto and R. Meijboom

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Mild hydrothermal synthesis and structural study of a new nickel pyrazine vanadate

E. Serrano, J. L. Mesa, J. L. Pizarro, M. I. Arriortua and T. Rojo

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Which parameter to select for estimating the degree of strain in substituted tetrahydropyrans?

I. Svoboda, H. Fuess, U. Bergsträsser, M. Greb and J. Hartung

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New inorganic-organic solids based on zirconium aminopolyphosphonates

R. Vivani, F. Costantino, U. Costantino and M. Nocchetti

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Computational investigations on fluorinated-polyoxyanionic compounds as cathode materials for lithium batteries

M. E. Arroyo y de Dompablo, U. Amador and J.-M. Tarascon

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Synthesis and properties of solid solutions in one-layer Aurivillius phases

E. Kharitonova, V. Voronkova and O. Rudnitskaya

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Crystal chemistry and structure of M^II organic diphosphate hydrates (M^II = Co, Cu)

S. Akriche, A. Selmi and M. Rzaigui

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Crystal chemical role of oxalate and malonate ions

M. Y. Artem'eva, V. N. Serezhkin and Y. N. Mikhailov

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A new azelato barium(II) coordination polymer containing chains of water molecules

A. Djeghri, F. Balegrounne and A. Guehria-Laidoudi

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Structural and magnetic characteristics of the Er₂Cu₂In₁

R. Ben Hassen, B. Belgacem, O. Tougait and H. Noel

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Intramolecular hydrogen bonds in heterodisubstituted ferrocene diamides

A. C. Bényei, G. Rangits, A. Kuik, R. Skoda-Földes and L. Kollár

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Oxovanadium(V) thiosemicarbazonato complexes

I. Dilović, M. Rubcic and M. Cindrić

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Structures of new Cu(II) and Co(II) 4-amino-1,2,4-triazole coordination compounds

M. M. Dîrtu, Y. Garcia and B. Tinant

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First nitrate complexes with chain structure

A. A. Fedorova, I. V. Morozov, N. R. Kuznetsova, D. V. Palamarchuk, I. A. Romanov and S. I. Troyanov

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Synthesis, structure and properties of Ni and Co arylsulfonates

F. Gándara, C. Fortes-Revilla, E. Gutierrez-Puebla, M. Iglesias, A. Monge and N. Snejko

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Supramolecular interactions in the 2-D coordination polymers: [M(btre)₂(NCS)₂] (M^II = Fe, Co)

Y. Garcia, C. Gieck, G. Bravic and D. Chasseau

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[Co(bppz)₂](ClO₄)₂·MeOH: a new 2,6-bis(pyrazol-1-yl)pyrazine complex

C. Gieck and Y. Garcia

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Structure feature of 3-d metal and aluminum trifluoroacetates and their acetates analogs

T. Yu. Glazunova, A. I. Boltalin and S. I. Troyanov

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Structural filiations in the new SrLiMTi₄O₁₁ (M = Cr, Fe) titanates

P. Gravereau, J.-P. Chaminade, I. Imaz, I. Koseva, S. Pechev, F. Bouree and P. Peshev

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Synthesis and structure of a cerium succinato-bridged ionic open framework

A. Rahahlia, A. Guehria-Laïdoudi, S. Dahaoui and C. Lecomte

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Studies in the structural chemistry of compounds resulting from barbituric and violuric acids

K. Guille and W. Clegg

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GeO₂ natrolite-type Infinite 4 and 8 R-containing layers in a 2D pure-Ge framework

E. Gutierrez-Puebla, M. E. Medina, A. Monge and N. Snejko

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The polymeric anhydrous rubidium hydrogen oxalate

M. Hamadène, H. Kherfi and A. Guehria-Laidoudi

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Structural class distribution for cis/trans-PtX₂L₂, X = halogen, L = neutral ligand the structures of two polymorphs of cis-PtCl₂(Bz₂S)₂

C. Hansson and Å. Oskarsson

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Four years of the EPSRC SRS service

R. W. Harrington and W. Clegg

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The design and synthesis of metal-carboxylate coordination polymers

S. M. Hawxwell, H. Adams and L. Brammer

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The structural study of metal complexes of bisphosphonate amide ester

J. Jokiniemi, E. Vuokila-Laine, J. Vepsäläinen, S. Peräniemi and M. Ahlgrén

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Synthesis, crystal structure and spectral studies of M(hsm)₂(sac)₂ complexes (M = Cu, Ni and Cd)

G. Kaştaş, H. Pasaoğlu and I. Bulut

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Synthesis and crystal structures of three new rhenium(I)-tricarbonyl diimine complexes

R. Kia, V. Mirkhani, A. Deak and S. Harkema

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Aqua magnesium(II) phthalocyanine bis(diethylamine) solvate

V. Kinzhybalo and J. Janczak

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Cu(II) complexes with dicarboxylic acids and 3-aminopyridine

N. Lah and I. Leban

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Structural characterisation of two molybdenum(V) thiosemicarbazonato complexes and Mo-containing intermediates derived from X₂[MoCl₅] (X = NH₄ or PyH)

D. Milić, V. Vrdoljak, M. Cindrić and D. Matković Calogović

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New rare-earth MOFs: through polyhedral diversity to multifunctional properties

A. Monge, F. Gándara, A. García-Cortés, C. Cascales, B. Gómez-Lor, E. Gutiérrez-Puebla, M. Iglesias and N. Snejko

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Crystal structures of anionic lanthanide complexes as constituents of ionic liquids

P. Nockemann, B. Thijs, N. Postelmans, K. Van Hecke, L. Van Meervelt and K. Binnemans

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Crystal chemistry of divalent lead: characteristics of Pb-O_x-Cl_y-polyhedra

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Synthesis and crystal structures of high temperature borate in REE₂O₃ – Al₂O₃ – CuO – B₂O₃ system

P. Plachinda and E. Belokoneva

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Polymorphism and space filling in cyanopyridine cobaloximes

J. M. Rubin-Preminger and U. Englert

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Crystal structures and interactions in packing of copper(I) halide complexes containing 3-mercapto-4-methyl-4H-1,2-4-triazole

S. Saithong, C. Pakawatchai and J. Charmant

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Crystal structure of nickel(II) complex with 2-{1-[6-(1-selenosemicarbazonoethyl)-2-pyridyl]ethylidene}hydrazine carbonitrile

D. M. Sladić, A. Bacchi, G. Pelizzi, T. R. Todorovic and K. Andjelković

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X-ray crystal and molecular structures of thymidine and guanosine 3′,5′-cyclic monophosphates

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Novel layered indium polymeric framework: structure and catalytic properties

N. Snejko, B. Gomez-Lor, E. Gutierrez-Puebla, M. Iglesias and M. A. Monge

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Isostructural strontium formate, fumarate and acetylendicarboxylate

K. Ståhl, J. E. T. Andersen and S. Christgau

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Detailed characterization of new Pd-based cluster compounds

B. Tinant, C. Willocq, S. Hermans and M. Devillers

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How complicated can it get: diprotonated meso-tetra (5′-methylthien-2′-yl) porphyrin as its bistriflate salt

M. Zeller, A. D. Hunter, C. Brückner, P. C. D. Foss, J. O. Sullivan, R. Pelto, R. R. Birge and G. Crundwell

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Synthesis and crystal structure of potassium bis(malonato)borate

I. Zviedre, S. Belyakov and A. Tokmakov

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Comparison of C-tritylation products of two tricyclic analogs of acyclovir

E. Bartoszak-Adamska, M. Jaskólski and B. Golankiewicz

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Structural basis for superiority of quaternary N-triazynylammonium tetrafluoroborates as new coupling reagents in peptide synthesis

M. P. Blaszczyk, M. L. Glowka and Z. J. Kaminski

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Synthesis, crystallographic structure and semiempirical studies of N-[3-amino-5-methylisoxale]-3,5-di-tert-butylsalicylaldimine

Ö. Çelik, M. Ulusoy, E. Taş and S. Ide

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Benzoin thiosemicarbazone and benzoin 4-ethylthiosemicarbazone

M. Dinçer, N. Özdemir, A. Çukurovalı and I. Yılmaz

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Structure and magnetic properties of a manganese(III) Schiff-base complex

E. Donmez, H. Kara and Y. Yahsi

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Structure of new derivatives of 1,8-diaminonaphthalenes ('proton sponge')

O. Dyachenko, O. Kazheva, A. Pozharskii and V. Ozeryanskii

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Is planarity of pyridin-2-yl- and pyrazin-2-yl-formamide thiosemicarbazones related to their tuberculostatic activity?

M. L. Główka, J. Golka, A. Olczak and H. Foks

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New molecular conductors with cobalt bis(dicarbollide) anion

O. Kazheva, A. Chekhlov, V. Starodub and O. Dyachenko

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Hydrogen bonding and structure-activity analysis of some antiandrogens

O. Klisurić, S. Stanković, D. Lazar, M. Sakac, K. Penov-Gasi, E. Djurendić, D. Zobel and A. Wagner

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Two polymorphs with different fluorescent properties of 2,5-bis(dimethylamino)-3,6-dicyanopyrazine dye

A. Koseki, S. Matsumoto, Y. Uchida and M. Yanagita

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1-Isopropyl-3,5-bis(p-fluorophenyl)-1,3,5-triazacyclohexane

S. Latreche, H. Mousser, A. Bouchemma, A. Mousser, R. Köhn and G. K. Köhn

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Single crystal X-ray diffraction analysis of CeCu₂Si₂

T. Leisegang, T. Weissbach, E. Faulhaber, O. Stockert, H. S. Jeevan, C. Geibel, P. Paufler and D. C. Meyer

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Crystal structure and ferroelectricity in thiourea pyridinium salts inclusion compounds

H. Małuszyńska, P. Czarnecki and J. Wasicki

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Imidazolium salts of dicarboxylic acids – crystal structure in the low temperature range 12 K – 120 K

K. Pogorzelec-Glaser and A. Pietraszko

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Fulgide photochromism in crystal: loss of crystalline order in the photochromic transformation of 3-furylfulgide

L. Khedhiri, M. Rzaigui and R. Casalegno

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Structural insights in the SoxY protein of Chlorobium limicola f. thiosulfatophilum

J. Stout, S. N. Savvides, L. De Smet, B. Vergauwen and J. Van Beeumen

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4′,4′,6′,6′-Tetrachloro-3,4-dihydro-3-(6-methylpyridin-2-yl)spiro[1,3,2-benzoxazaphosphinine-2,2′-(2λ⁵, 4λ⁵, 6λ⁵-cyclotriphosphazene)]

M. B. Tercan, T. Hökelek, H. Dal, Y. Süzen and Z. Kiliç

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Crystal structure of benzylidene-1,3-indandiones

A. Tokmakov, S. Belyakov, K. Balodis, P. J. Pastors, I. Muzikante and V. Kampars

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Specific features of the lanthanides stereochemistry in the structures of halide containing compounds

A. V. Vologzhanina

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Structural characterization of new potential 5-HT_1A receptor ligands

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A topological analysis of the intra/intermolecular interactions of 5-methylbenzo-phenanthrene

D. Wolstenholme, C. F. Matta, J. D. Ferrara and T. S. Cameron

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The conformational landscape of stilbenes: a reassuring observation

R. De Borger, A. Collas, C. M. L. Vande Velde and F. Blockhuys

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10 years of small molecule crystallography at the SRS – a users perspective

M. R. J. Elsegood

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The photooxygenation of tetrahydronaphthalene and its chemical transformation

E. Şahin, N. Kishalı and Y. Kara

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Tensor distinction of pairs of completely transposable domain states in multiferroics

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Synthesis and crystal structure of a new rhenium scandium oxide, Sc₆ReO₁₂

D. Mikhailova, H. Ehrenberg and H. Fuess

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The crystal structure of the DNA-binding domain of G1P from bacteriophage SF6

S. Benini, M. Chechik, M. Ortiz-Lombardia, S. Polier, M. B. Shevtsov, D. DeLuchi, J. C. Alonso and A. A. Antson

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Formation of resorcinarene complex in binary solvent systems. X-ray structure of resorcinarene–acetone–hexane solid solution

D. Swierczynski, V. I. Kalchenko and J. Lipkowski

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Supramolecular architectures of the boron and aluminium complexes with Schiff bases

E. Kołodziejczyk, J. Lipowski, J. Lewiński, J. Zachara and M. Dranka

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Small-angle scattering from three phase systems: application to a coal undergoing an extraction process

S. Ciccariello and P. Riello

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On the role of noncovalent interactions on the structure of metal thiolate complexes

I. Justyniak, J. Lipowski, J. Lewiński and W. Bury

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Synthesis, spectral, thermal and structural characterization of the copper(II) saccharinato complex of 2-aminopyrimidine, [Cu(sac-O)₂(ampym-N)₂(H₂O)₂]·2ampym

H. Paşaoğlu and G. Kaştaş

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Crystal engineering of chiral porous lanthanide tartrates

S. T. Jayarathne, J. A. K. Cha, J.W.-H. Kan, Y. Yen, H.H.-Y. Sung and I. D. Williams

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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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