Acta Crystallographica Section A
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Volume 66| Part a1

ISSN: 2053-2733

September 2010 issue

Abstracts of the 26th European Crystallography Meeting

Darmstadt, Germany, 29 August - 2 September 2010

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abstracts

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Protein interactions regulate ubiquitin and SUMO conjugation

R. G. Hibbert, P. Knipscheer, A. Huang, R. Boelens, G. Buchwald, F. Mattiroli and T. K. Sixma

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Can Nature do what Man can do? The search for natural quasicrystals

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The ribosome story

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From hot to cool and more for less: new developments for structural biology

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Single-crystal diffraction studies at multimegabar pressures

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Symmetry breaking in complex molecular assemblies

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The crystallography of piezoelectric perovskites: domains, disorder and disagreements

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Structural studies of influenza polymerase: implications for the mechanism of cap-snatching, host adaption and anti-viral drug design

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Analysis and prediction of physical and chemical properties by charge-density studies

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New phase transitions

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Understanding chemistry from combined X-ray and quantum mechanical studies

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Phasing by SAD and molecular replacement in PHASER

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Relevance of X-ray structure data to kinetic studies

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Crystallographic studies of P-type ATPase cation pumps

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Nanostructures in the light of coherent and resonant X-ray scattering

V. Favre-Nicolin

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Femtosecond X-ray protein nanocrystallography

H. N. Chapman and J. C. H. Spence

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MX automation: towards a new sample holder standard for frozen crystals

F. Cipriani and M. Bowler

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Application of an in situ crystal screening system at BESSY-MX BL14.1

K. S. Paithankar, M. Hellmig, R. Förster and U. Mueller

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Diffraction cartography: multi-crystal and multi-position data collection

M. W. Bowler and A. Popov

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Examples of order-disorder in macromolecular crystals

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High-resolution X-ray diffraction study of single crystals with twins: application to perovskite ferroelectrics

S. Gorfman, D. Walker, K. Datta, D. Keeble and P. Thomas

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'Hexagonal' single crystals

Y. Prots and H. Borrmann

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The system E₈, a special class of simple polyhedra and gas hydrate structures

A. Talis, M. Samoylovich, I. Ronova and G. Tereschenko

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The crystallographic model of a human A_2A adenosine receptor

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Lipidic sponge phase crystallization of photosynthetic reaction centres

G. Katona, A. Wöhri, W. Y. Wahlgren, L. C. Johansson, E. Fritz, E. Malmerberg, M. Andersson, J. Vincent, M. Eklund, M. Cammarata, M. Wulff, J. Davidsson, G. Groenhof and R. Neutze

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Passing the expression hurdle for membrane proteins

E. R. Geertsma and R. Dutzler

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A systematic approach to membrane protein crystallization in bilayers

X.-Y. Liu, P. Gourdon, J. L. Andersen, M. Bublitz, B. P. Pedersen, L. Yatime, M. Nyblom, C. Olesen, J. V. Møller, P. Nissen and J. P. Morth

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Access membrane transport by the sodium-hydantoin transporter Mhp1

S. Weyand, T. Shimamura, O. Beckstein, N. G. Rutherford, J. M. Hadden, D. Sharples, M. S. P. Sansom, So Iwata, P. J. F. Henderson and A. D. Cameron

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Ab initio phasing with ARCIMBOLDO: lost in translation

D. Rodríguez, I. M. de Ilarduya and I. Usón

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New tools for structure refinement in PHENIX

P. Adams, P. Afonine, N. Echols, J. Headd, R. Grosse-Kunstleve and N. Moriarty

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Experimental phasing with sticky triangles: how to deal with borderline cases

T. Beck, T. Gruene and G. M. Sheldrick

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Latest improvements in density modification of experimentally phased maps

P. Skubak, W.-J. Waterreus and N. S. Pannu

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The use of longer X-ray wavelengths in macromolecular crystallography for sulfur SAD structure determination

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Filling the missing cone: automatic recovery of data in tilt-limited microscopy

H. Stahlberg, X. Zeng, D. J. Masiel, N. Browning, J. Spence, K. Mitsuoka and B. Gipson

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Small-angle X-ray scattering from biological macromolecules

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Electron diffractive imaging of TiO₂ nanocrystals at 70 pm resolution

C. Giannini, L. De Caro, E. Carlino, G. Caputo and P. D. Cozzoli

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Self-assembly of the S-layer protein SbsC

T. Pavkov-Keller, J. Vonck, E. M. Egelseer, U. B. Sleytr, W. Kühlbrandt and W. Keller

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SAXS modeling of structural changes of DNA-gadolinium complexes

V. Volkov, E. Shtykova and Y. Yevdokimov

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The thermodynamic influence of trapped water molecules on a protein-ligand interaction

C. M. Stegmann, D. Seeliger, G. M. Sheldrick, B. L. de Groot and M. C. Wahl

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How serpins recognize and inhibit serine proteases

J. A. Huntington

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S. pombe Rpn12 and ubiquitin compete for binding to Rpn10

J. Boehringer, C. Riedinger, J.-F. Trempe and J. Endicott

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Neutron diffraction structure of antifreeze protein leads to ice-binding model

A. Podjarny, M. Blakeley, M. Haertlein, I. Petit-Haertlein, I. Hazemann, A. Cousido, C. Mueller-Dieckmann, A. Popov, A. Mitschler and E. Howard

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Characterizing subtype specificity in nAChRs: hints to smoking cessation

P. Rucktooa and T. K. Sixma

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Ribosomal protein structures and sequences define the prokaryotic tree of life

W. L. Duax, R. Huether and D. Dziak

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Investigation of the protein synthesis machinery at different levels of organization through integrative cryo-EM

A. G. Myasnikov, Z. A. Afonina, A. Simonetti, S. Marzi and B. P. Klaholz

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Drug-stabilized and drug-free complexes of topo IV from S. pneumoniae shed light on the mechanisms of reversible DNA scission and selective drug resistance

I. Laponogov, X.-S. Pan, D. A. Veselkov, K. McAuley, L. M. Fisher and M. R. Sanderson

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Crystal structure of a homodimeric 4-thiouridine synthetase-RNA complex

P. Neumann, K. Lakomek, P.-T. Naumann, A. Dickmanns, C. T. Lauhon and R. Ficner

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Combined biophysical techniques used to derive a model for alpha crustacyanin

J. R. Helliwell, M.-c. Wang, N. Rhys, C. Baldock and J. G. Grossmann

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Crystallography of virus capsids, the evolution of viruses, technology and therapy

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Structural insights into antibody-mediated neutralization of dengue virus

J. Cockburn, E. N. Sanchez, A. Goncalvez, I. Staropoli, F. Arenzana-Seisdedos, H. Bedouelle, C.-J. Lai and F. Rey

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Crystal structure of gpV - the bacteriophage P2 cell-puncturing device

P. G. Leiman, C. Browning and M. Shneider

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Structure of an intramolecular chaperone mediating triple-β-helix folding

E. C. Schulz, A. Dickmanns, H. Urlaub, A. Schmitt, M. Mühlenhoff, K. Stummeyer, D. Schwarzer, R. Gerardy-Schahn and R. Ficner

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Structural studies of herpes virus terminase

M. Nadal, P. Mas, A. G. Blancoa, C. Arnan, M. Solà, D. Hart and M. Coll

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Large ring ATPases that organize mitotic chromosomes

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Structural and evolutionary insights into the vesicle fusion machinery

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Self-association of quality control components in the ER

J. Hanna, A. Schütz, F. Zimmermann, T. Sommer and U. Heinemann

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The crystal structure of the ERGIC-53/MCFD2 transport receptor complex

E. Wigren, J.-M. Bourhis, I. Kursula, J. E. Guy and Y. Lindqvist

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Structural basis for the membrane targeting of the exocyst complex

M. Yamashita, K. Kurokawa, Y. Sato, A. Yamagata, H. Mimura, A. Yoshikawa, K. Sato, A. Nakano and S. Fukai

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Investigating the oxygen reactivity in enzymes

A. Mattevi, R. Orrù, R. Baron, P. Chaiyen and M. W. Fraaije

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Photosystem II at 2.9 Å resolution - quinones, lipids, channels and chloride ion

W. Saenger, A. Guskov, A. Gabdulkhakov, M. Broser, J. Kern and A. Zouni

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Crystal structure of the nitrogenase-like dark operative protochlorophyllide oxidoreductase catalytic complex

W.-D. Schubert, M. Bröcker, S. Schomburg, D. W. Heinz, D. Jahn and J. Moser

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Redox regulation and substrate specificity in plant peroxisomal β-oxidation

A. Henriksen, C. E. Christensen and V. E. Pye

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Monomeric isocitrate dehydrogenase in an open-conformation complex with NADP⁺

N. S. Sidhu, S. Aich, G. M. Sheldrick and L. T. J. Delbaere

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Structure of the LKB1 tumour suppressor

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Angiotensinogen adjusts its shape to complex with renin and modulate blood pressure

A. Zhou, R. W. Carrell, M. P. Murphy, Z. Wei, Y. Yan, P. L. D. Stanley, P. E. Stein and R. J. Read

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Chemokine binding protein from Orf virus modulates immune function - a new twist on an old motif

K. L. Krause, R. Counago, S. Fleming and A. Mercer

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Structural basis for CRM1 nuclear export complex assembly

T. Monecke, T. Güttler, P. Neumann, N. Doelker, C. Blanchet, A. Dickmanns, D. Görlich, H. Grubmüller, D. Svergun and R. Ficner

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Structure and biochemical analysis of the heparin-induced E1 dimer of the amyloid precursor protein APP

M. E. Than, S. O. Dahms, S. Hoefgen and D. Roeser

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Structure and role in pathogenesis of pneumococcal cell-wall associated proteins

J. A. Hermoso, I. Pérez-Dorado and M. Martínez-Ripoll

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Molecular mechanisms of fungal cell-wall assembly

A. Schuettelkopf, D. van Aalten and H. Dorfmueller

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Crystal structure of the mammalian cytosolic chaperonin CCT in complex with tubulin

I. G. Muñoz, H. Yébenes, M. Zhou, P. Mesa, M. Serna, A. Park, E. Bragado-Nilsson, A. Beloso, C. V. Robinson, J. M. Valpuesta and G. Montoya

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Structural investigation of T cell tolerance

S. Gras, Z. Chen, J. J. Miles, Y. C. Liu, L. Kjer-Nielsen, J. McCluskey, S. R. Burrows and J. Rossjohn

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Structure-based discovery of antivirals targeting the proteases of RNA viruses

R. Hilgenfeld, L. Zhu, K. Pumpor, Y. Kusov, S. George, T. Peters, T. Biet, S. Lacerda and J. Tan

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Incorporation of the basal pilin FctB into the pilus of Streptococcus pyogenes

C. Linke, P. G. Young, R. D. Bunker, M. Middleditch, T. T. Caradoc-Davies, T. Proft and E. N. Baker

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Identification, characterisation and exploitation of novel Gram-negative drug targets

G. Schneider, T. Sandalova, J. Kopec, J. Schmidberger and R. Schnell

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Phase stability, disorder phenomena and modeling of complex metallic alloy phases

G. Kreiner, R. Berthold and M. Mihalkovic

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Atomic structures of quasicrystals and related complex metallic alloys

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Understanding the structures of complex cubic intermetallic phases

J. Dshemuchadse, D. Y. Jung and W. Steurer

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Studies of domains and defects in ternary FeCo alloys by neutrons and positrons

R. Gilles, M. Hofmann, Y. Gao, F. Johnson, D. Mukherji, C. Hugenschmidt and P. Pikart

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Effect of atomic order in ferromagnetic shape memory alloys studied by neutron diffraction

J. A. Rodríguez-Velamazán, V. Sánchez-Alarcos, J. I. Pérez-Landazábal, V. Recarte, C. Gómez-Polo and V. A. Chernenko

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Double perovskites with broken corner-sharing connectivity of the octahedral framework

A. Abakumov, G. King, P. Woodward and E. Antipov

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From cathode materials to catalysts: structures and redox behavior of transition metal phosphates as a basis for technical applications

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Linear and nonlinear optical properties of germanate melilites

P. Becker, A. A. Kaminskii, H. Rhee, H. J. Eichler, J. Liebertz and L. Bohatý

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Li_xFeO₂ as battery cathode material: Li⁺/vacancy patterns and reaction energies

M. Catti and M. Montero-Campillo

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Titanium phosphate hybrid materials

S. García-Granda

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Polar atomic displacements in multiferroics by anomalous X-ray diffraction

E. Granado, C. Azimonte, H. Terashita, S. Park and S.-W. Cheong

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XRD, XAS and DFT study of the multiferroic mixed-valence compound YMn₂O₅

T. Leisegang, T. Weissbach, F. Wunderlich, H. Stöcker, M. Zschornak, R. Boucher, S. Gemming and D. C. Meyer

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Cellular automata modeling of complex inorganic crystal structures

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

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Elastic anomalies and precursor effects in CBN and Ce:CBN relaxor ferroelectrics

C. S. Pandey, J. Schreuer, M. Burianek and M. Mühlberg

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Pressure-induced long-range charge order in LuFe₂O₄

J. Rouquette, J. Haines, A. Al-Zein, Ph. Papet, J. Bourgeois, A. Maignan and Ch. Martin

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Crystal chemistry of manganese-containing perovskites related to calcium aluminate cements

S. Stöber, G. Redhammer, O. Prokhnenko, S. Schorr and H. Pöllmann

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Shear deformation and phase transitions in mantle minerals studied by atomic-scale simulations

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Interplay between structural and electronic behavior in iron-bearing earth lower mantle minerals

L. Dubrovinsky, C. McCammon, K. Glazyrin, O. Narygina, M. Merlini, I. Kantor, M. Hanfland and A. Chumakov

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P2₁/c to C2/c phase transition in clinopyroxenes and the geodynamic implications

M. Alvaro, F. Nestola, F. Camara, C. M. Domeneghetti, V. Tazzoli and R. J. Angel

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Structural studies of γ-Fe₂SiO₄ ringwoodite and its high-pressure polymorph

E. Greenberg, J. Rouquette, C. A. McCammon, I. Kantor, V. Prakapenka, L. S. Dubrovinsky, G. Kh. Rozenberg and M. P. Pasternak

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Solid solution behaviour of lower mantle minerals

D. Y. Jung and M. Schmidt

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The actinide borates: inside into nuclear waste storage and new materials for anionic exchange

E. V. Alekseev, S. Wang, T. E. Albrecht-Schmitt and W. Depmeier

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Topological aspects of Cu²⁺-O networks

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The response of frameworks to P and T: of tilts and tetrahedra in feldspars

R. Angel, L. Sochalski-Kolbus, M. Tribaudino, F. Nestola and A. Walker

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A whole new family of perovskite-based structures

J. Hadermann, A. Abakumov, G. V. Tendeloo and E. V. Antipov

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Mineralogical adventures of a powder diffractionist

P. Whitfield, A. Roberts, L. Mitchell, Y. Le Page, S. Mills and K. Tait

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High-pressure melting of silicon

I. Kantor and V. Prakapenka

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Single crystal diffraction at Earth's mantle conditions

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High-pressure synthesis of rare earth metal polychalcogenides

T. Doert, C. J. Müller, U. Schwarz and P. Schmidt

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Crystal growth, crystal structure and thermal expansion of a new layered borate Ba₂Bi₃B₂₅O₄₄

S. Filatov, S. Krivovichev, R. Bubnova, M. Krzhizhanovskaya, A. Egorysheva and S. Volkov

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Transition metal compounds with the CrVO₄-type structure under pressure

E. Stavrou, I. Efthimiopoulos, S. M. Souliou, J. Law, R. K. Kremer, G. V. Vajenine, K. Syassen and M. Hanfland

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Distortions and stabilization of simple primitive calcium at high pressure and low temperature

Y. Ding, W. L. Mao, R. Ahuja and H.-k. Mao

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Post-simple cubic structures in compressed phosphorus and calcium: electronic origin

V. F. Degtyareva

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Structures of light-element solids at extreme pressures

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Deactivating amorphization of silicalite under pressure by insertion of CO₂/Ar

J. Haines, O. Cambon, C. Levelut, M. Santoro, F. Gorelli and G. Garbarino

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Isostructural phase transitions and crossovers under non-ambient conditions

V. Dmitriev and D. Chernyshov

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Elastic and non-elastic response of shape memory alloys to stress fields

W. W. Schmahl, S. Gollerthan, M. L. Young, X. Xia, M. Hasan, C. Merkel, M. Hoelzel, A. Baruj, J. Frenzel and G. Eggeler

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Elastic properties of YCrO₃ perovskite up to 60 GPa

M. Ardit, M. Dondi, M. Merlini, P. Bouvier and G. Cruciani

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Pressure-induced phase transformations in lead-based relaxor ferroelectrics

B. J. Maier, R. J. Angel, B. Mihailova, W. G. Marshall, C. Paulmann, J. M. Engel, M. Gospodinov and U. Bismayer

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Correlations between microstructures evolution and elastic properties of LEK 94

G. Mazzolai, J. Schreuer, L. Agudo and G. Eggeler

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Charge, spin and momentum densities simultaneous refinement. From the method to the code

J.-M. Gillet, Y. Ciumacov, P. Cortona, P. Becker, M. Souhassou, N. Claiser, M. Deutsch, S. Pillet, C. Lecomte, B. Gillon, D. Luneau, A. Borta and O. Iasco

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Spin density distributions in molecular magnetic materials

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On the ab initio calculation of all-atom ADPs for molecules in crystal structures

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Spin and magnetization density in the kagome staircase system Co₃V₂O₈

N. Qureshi, M. Zbiri, H. Fuess, H. Ehrenberg, Y. Sakurai and M. Itou

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Time-resolved X-ray diffraction study of the piezoelectric response of single crystals

R. Grifone, O. Schmidt, S. Gorfman and U. Pietsch

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Structural modulation in ferromagnetic shape memory martensitic phases

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Simulation of modulated reflections

J. J. Lovelace, M. D. Winn and G. E. O. Borgstahl

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Formation and stability of quasicrystals and other complex intermetallics

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Photo-induced incommensurate ordering in an Fe(II) spin crossover complex

S. Pillet, C.-F. Sheu, I-J. Hsu, V. Petricek, M. Dusek, C. Lecomte and Yu Wang

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Modification of modulated structures and nanodomains in (A)₂ZnCl₄ mixed crystals

K. Behrendt, H. Gibhardt, K. Hradil, J. Leist and G. Eckold

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Disorder and diffuse X-ray scattering in colloidal and photonic crystals

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Real-structure effects of luminescent layered oxonitridosilicates

O. Oeckler, M. Seibald, J. A. Kechele, F. Stadler, T. Rosenthal, H. Koss and W. Schnick

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Disorder and conformational flexibility in vitamin B12 explored at high pressure

F. P. A. Fabbiani, G. Buth, B. Dittrich and H. Sowa

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Symmetry analysis of extinction rules in diffuse scattering experiments

M. I. Aroyo, R. L. Withers, J. M. Perez-Mato and D. Orobengoa

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Determination of disorder using the three-dimensional pair distribution function

A. Simonov, T. Weber and W. Steurer

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2D noncommensurate modulated misfit layer structures of franckeite and cylindrite

E. Makovicky, V. Petříček, M. Dušek and D. Topa

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Modulation functions of aperiodic crystals

S. van Smaalen and L. Li

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Periodic and aperiodic ordering in composition flexible square lattices

J. M. Perez-Mato, S. G. de la Torre, L. Elcoro and A. Garcia

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Cation composition dependence of superlattice reflections in (Sr/Ca/La)₁₄Cu₂₄O₄₁

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The composite structure of Ag_0.5Cu_0.5V₂O₅

W. Hermes, M. Dollé, J. Galy, S. Lidin and P. Rozier

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Structure of Ba₁₀Ge₅₀ from electron diffraction/X-ray powder diffraction data

W. Carrillo-Cabrera

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Refinement of structural parameters of PbTiO₃ by convergent-beam electron diffraction

R. Schierholz, K. Tsuda and H. Fuess

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Crystal structure solution via precession electron diffraction data: the BEA algorithm

G. L. Cascarano, C. Giacovazzo and B. Carrozzini

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Structure of molecular crystals solved by automated electron diffraction

T. Gorelik, E. Mugnaioli, A. Stewart, G. Matveeva and U. Kolb

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Measuring electron scattering factors by large-angle rocking-beam electron diffraction (LARBED)

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Complete 3D electron diffraction data collection - new methods and applications

X. Zou, P. Oleynikov, D. Zhang, T. Willhammar and S. Hovmöller

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DFT versus accurate experimental measurements of charge density in aluminium

P. N. H. Nakashima, A. E. Smith and B. C. Muddle

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Structure solution in multiphase Sr-Bi-Ni-O powder by electron crystallography

H. Klein, P. Strobel, J. David, A. Rageau, M. Gemmi, V. V. Pankov, M. Golikova-Novitskaya and L. V. Makhnach

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Structure analysis of titanate nanorods by electron diffraction

I. Andrusenko, E. Mugnaioli, T. Gorelik, U. Kolb, D. Koll, M. Panthöfer and W. Tremel

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Electron microscopy in biomineral research

W. W. Schmahl, E. Griesshaber, K. Kelm, A. Götz and W. Mader

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Hydrogen-bond motifs in polymorphs and cocrystals

L. Fábián, S. Lawrence, H. Moynihan and A. Maguire

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Effect of crystal packing on the static polarizability and first-hyperpolarizability of crystalline urea: an ab initio computational study

B. Civalleri, M. Ferrero, M. Rerat, R. Orlando and R. Dovesi

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High-pressure/low-temperature polymorphism in chiral and racemic cysteine

V. S. Minkov, B. Kolesov, S. Goryainov and E. Boldyreva

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Molecular ordering in C₇₀@CNT nanopeapods

B. Verberck, J. Cambedouzou, G. Vliegenthart, G. Gompper and P. Launois

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Probing intermolecular interactions in 2-chloro-4-nitrobenzoic acid and nicotinamide

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Structural characterization of complex materials using pair-distribution function analysis

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Disorder phenomena in Prussian Blue analogues

D. Chernyshov and A. Bosak

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Defective coordination polymers

N. Masciocchi, S. Galli, A. Maspero, A. Guagliardi and A. Cervellino

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Disorder in mixed crystals of cis/trans-perinone explained by d-DFT calculations

J. Teteruk, E. F. Paulus, J. van de Streek, M. A. Neumann and M. U. Schmidt

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Organic thin-film layer investigation with pair-distribution function technique

C. Elschner, A. A. Levin, K. Leo and M. Riede

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Accurate ab initio calculation of the cohesive energies of molecular crystals

L. Maschio and D. Usvyat

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Crystal structure prediction of molecular compounds with d-DFT

J. van de Streek and M. A. Neumann

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Temperature and pressure in computational crystallography: a case study of ice

D. W. M. Hofmann, M. Cogoni, L. N. Kuleshova and B. D'Aguanno

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Simulation of the interaction of terpenes and their oxidation products with ice

S. M. Hammer, C. Czech, B. Bonn and M. U. Schmidt

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Experimental and computational study of (E)-4-methyl-2-{[tris(hydroxymethyl)methyl]iminiomethyl} phenolate

G. Ö. Tarı, H. Tanak, M. Macit, F. Erşahin and S. Işık

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Dynamic gas separation on a flexible single-crystal host

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Structure and topology of novel zeolites and mesoporous materials

J. Sun, C. Bonneau, D. Zhang, Yu Han, C. Avelino and X. Zou

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Guest ordering inside MOF channels: breathing effect versus steric factors

K. Yusenko, M. Meilikhov and R. A. Fischer

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Dimensional encapsulation of halogen-bonded supramolecular anions

P. Metrangolo, G. Cavallo, M. Lahtinen, T. Pilati, K. Rissanen, G. Resnati and G. Terraneo

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Towards docking-based prediction of host-guest framework systems

P. A. Wood and O. Korb

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Gels, borromeates and self-assembled nanostructures from competing interactions to ureas

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Halogen bonds: mechanosynthesis, unusual acceptors and metal-organic materials

T. Friščić and W. Jones

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Halogen bonding: a new supramolecular synthon in anion coordination chemistry

G. Terraneo, S. Biella, P. Metrangolo, T. Pilati and G. Resnati

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The electron-pair saturation rule. A new way of looking at crystal packing

P. Gilli, V. Bertolasi and G. Gilli

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Hydrogen bonds and dynamics of crystalline amino acids: a synergetic effect of combining X-ray diffraction and single-crystal polarized Raman spectroscopy

E. V. Boldyreva and B. Kolesov

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Large metal-ion assisted supramolecular assemblies

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Rotor-stator and ordered phases of fullerene-cubane cocrystals

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

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Coordination and hydrogen-bonding networks of tetrapyridylporphyrins with lanthanoid metal ions

S. Lipstman and I. Goldberg

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Fantastic voyage: molecular recognition viewed through macroscopic properties

A. Bacchi, G. Cantoni, D. Cremona and P. Pelagatti

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Size matching of interacting moieties: a design principle in crystal engineering

G. Resnati, A. Abate, M. Lahtinen, P. Metrangolo, T. Pilati, K. Rissanen and G. Terraneo

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Crystallization in gels: a practical workshop

J. M. Garcia-Ruiz, J. A. Gavira and D. Choquesillo

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Structural evolution in molecular materials by diffraction and related

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On quantitative structural and electron-density studies of interactions in molecular crystals

A. Hoser, P. M. Dominiak and K. Woźniak

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Crystallographic elucidation of structure-properties relationships in molecular spin-crossover crystals

P. Guionneau, H. Shepherd, S. Lakhloufi, A. Kaiba, F. Le Gac, M. H. Lemée-Cailleau, J. F. Létard, A. E. Goeta and P. Rosa

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The construction of open frameworks based on methanetriacetic acid: new objects with an old ligand

C. Ruiz-Pérez, L. Cañadillas-Delgado, T. Martín, O. Fabelo, J. Pasán, M. Déniz, P. Díaz-Gallifa, C. Martínez, W. Rodríguez, R. Pino, F. Lloret and M. Julve

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Flurbiprofen: structure and properties of (hydroxylated) t-butylammonium salts

C. H. Schwalbe, M. Ramirez, B. R. Conway, C. J. Bache, S. J. Coles and P. Timmins

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Star-burst prisms and coordination polymers

M. Hardie, C. Carruthers, J. Fisher, L. Harding, J. Henkelis, M. Little, T. Ronson, C. Sumby and A. Westcott

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Structural chemistry of new Rh and Ir metallathiaboranes - understanding cluster flexibility

F. J. Lahoz, C. Cunchillos, P. García-Orduña, R. Macías, A. Alvarez and L. A. Oro

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When crystallography meets kinetics. A study of rhenium(I) tricarbonyls

H. G. Visser, A. Roodt, A. Brink, G. Kemp and M. Schutte

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Unprecedented isomerism of new stable monomeric lead(II) dithiolate Pb(SCH₂CH₂NMe₂)₂

V. N. Khrustalev

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Multistep bidentate ligand coordination at hafnium(IV)

J. A. Viljoen, H. G. Visser and A. Roodt

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Photo-crystallography meets optoelectronic structures and reaction energetics

J. M. Cole, A. Phillips, T. d'Almeida and K. S. Low

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Porosity and polymorphism as a sign of directional bonding in light hydrides

Y. Filinchuk, Bo Richter, D. Ravnsbæk, T. R. Jensen, D. Chernyshov, V. Dmitriev and R. Černý

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Temperature-dependent structural changes and hydration of CsLiB₆O₁₀

N. Sennova, R. Bubnova, G. Cordier, B. Albert, S. Filatov, L. Isaenko and L. Gubenko

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Pressure-induced phase transitions in L-alanine, revisited

N. Tumanov, E. Boldyreva, A. Kurnosov and R. Q. Cabrera

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Do organic solid-state reactions occur in a concerted manner?

M. A. Fernandes and D. C. Levendis

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Solid-state reactivity in halogen-bonded co-crystals

P. Metrangolo, S. Biella, G. Cavallo, T. Pilati, G. Resnati and G. Terraneo

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Confinement of 1,3-dimethylcyclobutadiene and intermediates in a crystalline matrix

Y.-M. Legrand, A. van der Lee and M. Barboiu

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Tweezers and zigzags - models for sequence specific tweezer-polymer interactions

C. Cardin, Yu Gan, Z. Zhu and H. Colquhoun

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Copper-based oxidation catalysis

T. J. Muller, G. Steyl and A. Roodt

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Influence of substituents on PhonyH and its associated Rh(I) carbonyl complexes

G. J. S. Venter, G. Steyl and A. Roodt

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Reactivity of molecules through their electrostatic properties

N. E. Ghermani, N. Bouhmaida and J.-M. Gillet

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Characterization of a non-nuclear attractor in a dimeric magnesium(I) compound

J. Overgaard, C. Jones and J. Platts

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Electron densities of macromolecules from synchrotron experiments and databases

P. Luger, R. Kalinowski, S. Mebs, A. Lüth, A. Wagner, A. Meents and B. Dittrich

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Experimental and theoretical charge densities in two polymorphic systems

A. A. Hoser, L. Dobrzycki, M. J. Guttman and K. Woźniak

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X-ray charge-density analysis of vanadium diboride: a comparison of experiment and theory

B. Terlan, H. Borrmann, A. Baranov, C. Börrnert, F. R. Wagner and Y. Grin

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Monitoring the preparation of protein derivative crystals via Raman microscopy

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Practical variations on the microseed matrix screening (MMS) method in protein crystallisation

P. S. Stewart, P. F. M. Baldock, R. A. Briggs and S. A. Kolek

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Single-crystal X-ray diffraction in laser-heated diamond anvil cells

L. Dubrovinsky, N. Dubrovinskaia, K. Glazyrin, M. Merlini, M. Hanfland and T. Pippenger

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Progress in using short wavelength radiation for chemical crystallography

J. Graf, B. Hasse, F. Fabbiani, T. Schulz, D. Stalke, H. Ott and C. Michaelsen

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X-ray diffraction from crystals in crystallization drops

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Real-time X-ray studies of the effect of chemical transients on oxide thin-film surface structure

P. H. Fuoss, M. J. Highland, T. T. Fister, S. O. Hruszkewycz, M.-I. Richard, D. D. Fong, J. A. Eastman, C. Thompson, S. K. Streiffer and G. B. Stephenson

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Surface X-ray diffraction on mineral surfaces in environmental conditions

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X-ray investigation of the morphology of DCV6T-Bu₄ films for organic solar cells

A. A. Levin, M. Levichkova, D. Hildebrandt, A. Weiss, M. Klisch, C. Elschner, D. Wynands, M. Pfeiffer, K. Leo and M. Riede

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Theory of phonons in 2D, 3D crystals and multilayers of hexagonal boron nitride

K. H. Michel and B. Verberck

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Investigation of the water-pyrite-(100)-interface with GIXRD

S. Meis and U. Magdans

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Hard X-ray diffraction scanning tomography with sub-micrometer spatial resolution

H. Palancher, R. Tucoulou, P. Bleuet, E. Welcomme, A. Bonnin and P. Cloetens

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3D grain structures from X-ray diffraction contrast tomography

W. Ludwig, A. King, P. Reischig, M. Herbig and E. M. Lauridsen

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Recent developments in white and monochromatic X-ray microdiffraction

P. Gergaud, P. Bleuet, J. Villanova, O. Sicardy, P. Lamontagne, L. Arnaud, O. Robach, J. S. Micha, O. Ulrich, X. Biquard and F. Rieutord

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Recent developments in scanning micro and nanobeam diffraction techniques

M. Burghammer, S. Schöder, S. Santucci, E. Di Cola, R. Davies, A. Gourrier and C. Riekel

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Structure analysis of polyphasic nano-mixtures by automated electron diffraction

E. Mugnaioli, T. Gorelik, U. Kolb, C. S. Birkel, M. Panthöfer, W. Tremel, M. Gemmi and J. Fischer

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Ultrafast resonant magnetic scattering at the soft X-ray free-electron laser FLASH

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Coulomb phase in the spin ices Ho₂Ti₂O₇ and Dy₂Ti₂O₇

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The magnetic structure of CeAgAs₂

T. Doert, A. Schneidewind, M. Hölzel, D. Rutzinger and M. Ruck

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Mössbauer and neutron diffraction study of polycrystalline GaFeO₃

M. Bakr, K. Szymański, A. Senyshyn, G. Parzych, L. Dobrzynski and H. Fuess

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Spin structure in ultrathin fcc-Fe films on Cu(001)

H. L. Meyerheim, J.-M. Tonnerre, M. Przybylski, F. Yildiz, X. L. Fu, E. Bontempi, A. Ramos, S. Grenier and J. Kirschner

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Light-induced structural changes in photosynthetic reaction centres

G. Katona, A. Wöhri, L. C. Johansson, E. Fritz, E. Malmerberg, M. Andersson, J. Vincent, M. Eklund, M. Cammarata, M. Wulff, J. Davidsson, G. Groenhof and R. Neutze

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Probing catalysis in real time with time-resolved X-ray spectroscopy

M. Bauer and J.-D. Grunwaldt

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Chemical reactions of small molecules in solution studied by ultrafast (ps) X-ray scattering

Q. Kong, M. Wulff, H. Ihee and M. H. J. Koch

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Tracking chemical reactions in solution by time-resolved X-ray scattering

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Modulation-enhanced diffraction: a new tool to study transient structural phases and solve structures

W. van Beek, D. Chernyshov, A. Urakawa, L. Palin, D. Viterbo and M. Milanesio

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Iterative algorithms in electron crystallography - a brief history

A. Stewart, E. Mugnaioli, T. Gorelik and U. Kolb

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SUPERFLIP: unpublished features

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From a random model to the correct structure: the VLD algorithm

C. Giacovazzo, M. C. Burla and G. Polidori

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Missing data in a modified charge-flipping algorithm

G. Oszlányi and A. Sütő

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Density modification for macromolecular and small molecule phasing

G. M. Sheldrick

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XPRESSO: automation in routine crystallography

H. Ott and J. Kaercher

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Technologies for structural determination and validation using the CSD

T. Allgood and I. Bruno

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CATS and G-ROB: 6-axis robotic-arm-based automated systems for crystallography

J.-L. Ferrer, X. Vernede, P. Mazel, P. Rogues, F. Bouis, J. Joly, M. Privas, J.-L. Rechatin and N. Ferrer

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What can the Bruker SMART X2S do for me?

S. Lawrence, K. Eccles and A. Maguire

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Ab initio structure determination by powders: recent developments in EXPO2010

A. Moliterni, A. Altomare, C. Cuocci, C. Giacovazzo and R. Rizzi

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Macromolecular X-ray crystal structure analysis against limited and noisy data

G. N. Murshudov

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One-stop small-molecule crystallography: OLEX2

H. Puschmann, L. J. Bourhis, O. V. Dolomanov, R. J. Gildea and J. A. K. Howard

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New development in ILMILIONE package: two computational tools for H/D determination in protein structures from neutron data

D. Siliqi and R. Caliandro

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Dynamic redefinition of variable space in structure solution from diffraction data

Z. Zhou and K. D. M. Harris

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Crystallography hic et nunc (Quo Vadis revisited)

K. A. Kantardjieff

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RapiData: a practical course in macromolecular X-ray diffraction data measurement and structure solving at the NSLS

R. M. Sweet and A. Soares

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Update on the tutorial for learning and teaching macromolecular crystallography

A. Faust, S. Pühringer, N. Darowski, S. Panjikar, K. Diederichs, U. Mueller and M. S. Weiss

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Applications of the Cambridge Structural Database in chemical education

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Teaching protein crystallography using interactive whiteboard technology

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Interactive 3D visualization of plane groups and layer groups using the SGV

E. Hitzer and C. Perwass

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Quasiperiodic symmetry in a Baroque church in the Czech Republic

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Classification of the Moroccan ornamental patterns constructed by the 'Hasba' method

Y. Aboufadil, A. Thalal, J. Benatia, A. Jali and M. A. E. Raghni

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'Bossenstein' - unique ornamentation of 'Weser-Renaissance'

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The c-AMP receptor-like protein CLP is a novel c-di-GMP receptor linking cell-cell signaling to virulence gene expression in Xanthomonas campestris

S.-H. Chou, K.-H. Chin, Y.-H. Tseng and J. M. Dow

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EMBL MX1 beamline for macromolecular crystallography at PETRA III @ DESY, Hamburg, Germany

M. Cianci, G. Bourenkov, S. Fiedler and T. Schneider

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Macromolecular crystallography beamlines at Diamond Light Source: current capabilities and future plans

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Surfaces of attenuation of acoustic waves in cubic crystals

F. R. Akhmedzhanov and U. A. Saidvaliev

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Microfocus beamline for macromolecular crystallography MX2 @ PETRA III

G. Bourenkov, M. Cianci, S. Fiedler, M. Roessle and T. R. Schneider

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Structural biology of the nogalamycine biosynthetic pathway

M. Claesson and G. Schneider

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Facilities for structural biology and chemical crystallography at Diamond

M. Engel and E. J. Shotton

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Sulfolobus solfataricus adenine phosphoribosyl-transferase

S. F. Husted, K. S. Jensen, A. Mølgaard, J.-C.N. Poulsen, A. Kadziola and K. F. Jensen

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Crystal Direct: a new system for automatic crystal mounting and diffraction analysis

F. Cipriani and J. A. Márquez

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Incorporation of extra-domain B into fibronectin mediates local dimerization

A. Schiefner, M. Gebauer and A. Skerra

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PSPF - a protein sample production facility for structural biologists

A. Schütz, J. van den Heuvel, V. Jäger, K. Büssow, D. Heinz and U. Heinemann

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Mechanistic studies on ubiquitin chain formation by Triad1

J. J. Smit, R. Hibbert, J. A. Marteijn, B. A. van der Reijden and T. K. Sixma

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Recent activity of neutron diffractometers for biological crystallography at Japan Atomic Energy Agency

T. Tamada, K. Kurihara, T. Ohhara, N. Okazaki and R. Kuroki

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Facilities for macromolecular crystallography at BESSY II

M. W. Weiss, M. Bommer, N. Darowski, R. Förster, M. Hellmig, M. Krug, K. Paithankar, S. Pühringer and U. Mueller

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Crystal structure of dichloridobis[5-nitro-1-trimethylsilylmethyl-1H-benzimidazole-κN³]cobalt(II) N,N-dimethylformamide solvate

S. P. Yalçın, M. Akkurt, N. Şireci, H. Küçükbay and M. N. Tahir

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MAIN 2010: finalizing the structure by validation-driven structure improvement

M. Turk and D. Turk

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Getting the most out of your synchrotron

C. Mallett, J. D. Ferrara, C. Acheson, K. Crane, A. Criswell, P. Le Magueres and B. Simpson

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The high-throughtput membrane protein structural biology pipeline at the SGC

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Automated high-throughput crystallisation suited for membrane proteins

Y. Thielmann, J. Xu, M. Lundy, M. Mickley, U. Boronowsky, J. Kubicek and J. Köpke

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Crystal structure of oxygen-evolving photosystem II at atomic resolution

Y. Umena, K. Kawakami, J.-R. Shen and N. Kamiya

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A neutron-diffraction study of the low-cycle fatigue behaviour of an austenitic stainless steel 316

A. Dubreuil, S. Y. Zhang, S. Eve and A. Korsunsky

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Structure determination of the B-repeat, a domain of the invasion protein InlB

M. Ebbes and H. Niemann

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Phasing glycosyltransferase PimB′ - P1 symmetry and radiation damage

K. Fütterer, S. Batt and G. S. Besra

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Protein tags as phasing tools?

C. Grosse and G. M. Sheldrick

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Combined high-resolution X-ray and neutron analysis of porcine elastase

T. Kinoshita, T. Tamada, R. Kuroki, K. Kurihara, M. Adachi, T. Ohhara and T. Tada

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MR-SAD: phasing employing the NMR structure without model bias

A. Thorn, F. Kerek, C. E. L. da Cunha, I. Usón and G. M. Sheldrick

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The CCP4 software suite - current status and future developments

M. Winn, C. Ballard, R. Keegan, G. Pelios, N. Zhao and E. Krissinel

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High-end solution for in-house protein crystallography

M. Biadene, M. Benning and V. Smith

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How do S-layers bind to bacterial cell walls?

A. Đordić, T. Pavkov, E. M. Egelseer, U. B. Sleytr and W. Keller

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A comparison of models for giant haemoglobins derived from different techniques

H. Durchschlag, P. Zipper and A. Krebs

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A hybrid pixel detector in the home laboratory: prospects for better data

J. D. Ferrara, C. Acheson, A. Criswell, P. Le Magueres, J. W. Pflugrath and K. Sasaki

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Bacterial conjugation in Gram-positive bacteria: impact of Tra proteins from plasmid pIP501

N. Gössweiner-Mohr, E.-K. Çelik, M. Y. Abajy, K. Arends, E. Grohmann and W. Keller

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Use of simultaneous X-ray diffraction and differential scanning calorimetry

P. Pennartz, J. D. Ferrara and A. Kishi

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Structural aspect of stabilization of magnetic particles in solution: SAXS study

E. Shtykova, P. Konarev, L. Bronstein and D. Svergun

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SAXS, CD and DLS studies on plant heterotrimeric G protein Gamma subunit; AGG2

A. Aktürk, B. Kaplan-Türköz and Z. Sayers

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Structural analysis of 1-aryl-3-isopropylamino-1-propanone hydrochlorides

B. Anıl, E. Şahin, E. Mete and H. I. Gül

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Experimental and DFT studies on a pyrimidine-thione derivative

M. Dinçer, N. Özdemir, I. Koca and I. Yıldırım

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New developments in low-power beam-delivery systems with aspheric multilayer optics

N. Galatanu, S. Rodrigues, R. Mahé and P. Hoghoj

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SWAXS studies on topical lamellar liquid crystal drug-delivery systems

S. İde, E. H. Soylu, M. Aytekin, R. N. Gürsoy and S. Hekimoğlu

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Small-angle X-ray scattering analysis of the ectodomains of VEGFR-3 and the VEGF-C ligand complex

K.-L. Lou, P.-T. Huang, U-S. Jeng, Y.-S. Huang, T.-w. Su and S.-T. Shen

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Investigation of alternative methods of holding samples for X-ray solution scattering

P. U. Pennartz, M. Degen, L. Fan, N. Grupido and S. Bendle

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Crystallization and structure of the human co-insulin derivative - a new crystal form

B. Prugovečki, A. Jurković and D. Matković-Čalogović

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Studies of XRD, profile matching and TEM of poly(o-methoxyaniline) - POMA - in different times of synthesis

E. Ap. Sanches, G. Trovati and Y. P. Mascarenhas

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SAXS structural analysis of human thrombomodulin domains

T.-W. Su, P.-T. Huang, G.-Y. Shi, H.-L. Wu and K.-L. Lou

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Crystal structure of 6-methoxy-4-bromomethylcoumarin

R. Gowda, K. V. A. Gowda, M. Basanagouda and M. V. Kulkarni

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The crystal structure of a junction between two Z-DNA helices

M. de Rosa, D. de Sanctis, A. L. Rosario, M. Archer, A. Rich, A. Athanasiadis and M. A. Carrondo

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Glutathione transferases in the herbicide-resistant weed black-grass (Alopecurus myosuroides)

S. Freitag-Pohl, I. Cummins, E. Pohl and R. Edwards

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Effects of GTP on oligomeric state of GPA1; Arabidopsis G protein alpha subunit

B. Kaplan-Turkoz, A. Akturk and Z. Sayers

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Crystal structure of protein-glutaminase and its pro-structures similar to enzyme-substrate complex

B. Mikami, R. Hashizume, K. Mizutani, N. Takahashi, H. Matsubara, A. Matsunaga and S. Yamaguchi

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How chromosomes interact with microtubules

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An archaeal Dim2 homolog forms a ternary complex with a/eIF2α and 16S rRNA

K. Nagata, M. Ze Jia, S. Horita and M. Tanokura

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Structural analysis of PDZ modules of bacterial site-2 protease

T. Nogi and J. Takagi

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Crystal structures of ferrocenyl-phosphazene derivatives

A. Ozturk, N. Asmafiliz, T. Hokelek and Z. Kilic

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A novel mechanism for azoreduction

A. Ryan, N. Laurieri, C.-J. Wang, I. Westwood, E. Lowe and E. Sim

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Structure and allosteric effects of activating compounds on protein kinase PDK1

J. O. Schulze, V. Hindie, A. Stroba, H. Zhang, L. A. Lopez-Garcia, L. Idrissova, S. Zeuzem, D. Hirschberg, F. Schaeffer, T. J. Jørgensen, M. Engel, P. M. Alzari and R. M. Biondi

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Structural investigation of antidepressant drug and dipalmitoyl phosphatidylcholine interactions by small-angle X-ray scattering method

D. Yonar, E. H. Soylu, M. M. Sunnetcioglu and S. Ide

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Drug-stabilized and drug-free complexes of topo IV from S. pneumoniae shed light on the mechanisms of reversible DNA scission and selective drug resistance

I. Laponogov, X.-S. Pan, D. A. Veselkov, K. McAuley, L. M. Fisher and M. R. Sanderson

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Novel agonists and antagonists question molecular recognition and information transmission in TetR

M. Sevvana, D. Goeke, C. Götz, F. Gruss, W. Hillen and Y. Muller

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Structural characterization of a WD-40 repeat containing Ygr223c homologue

K. Kühnel, R. Krick and M. Thumm

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Structural analysis of nuclear pore proteins

M. Bürger, N. Schrader, P. Stege and I. R. Vetter

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Structure of protochlorophyllide reductase: a greening mechanism for plants in the dark

N. Muraki, J. Nomata, Y. Fujita and G. Kurisu

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Structural analysis of Thermus thermophilus HB27 mannosyl-3-phosphoglycerate synthase

S. Gonçalves, N. Borges, A. M. Esteves, B. Victor, C. M. Soares, H. Santos and P. M. Matias

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Structural basis for a new mode of glycosyltransferase inhibition

R. Jørgensen, T. Pesnot, M. M. Palcic and G. K. Wagner

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Chemokine binding protein from Orf virus modulates immune function - a new twist on an old motif

K. L. Krause, R. Counago, S. Fleming and A. Mercer

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How to minimize X-ray dose used for in-house data collection on protein crystals

V. Smith, M. Biadene and M. Benning

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Crystal structure of SppB_TK, a putative signal peptide peptidase from Thermococcus kodakaraensis

C. Angkawidjaja, S.-i. Tanaka, S. Okamoto, H. Matsumura, R. Matsumi, H. Atomi, T. Imanaka, Y. Koga, K. Takano and S. Kanaya

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Crystal structure of AsaP1 metalloendopeptidase in complex with its propeptide

X. Bogdanović, R. K. Singh, J. Hentschke, B. K. Gudmundsdóttir and W. Hinrichs

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Structure and biochemistry of the APP E2 domain

S. O. Dahms, D. Roeser and M. E. Than

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Crystal structure of N-formimino-L-glutamate iminohydrolase

A. Fedorov, E. Fedorov, R. Marty-Arbona, F. Raushel and S. Almo

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Structure of the tetracycline-degrading monooxygenase TetX2

G. Volkers, G. Palm, M. S. Weiss, G. D. Wright and W. Hinrichs

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Crystal structure of Tpa1 from Saccharomyces cerevisiae

H. J. Yoon, H. S. Kim, H. L. Kim, K. H. Kim, D. J. Kim, S. J. Lee, J. Y. Yoon and S. W. Suh

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Structure and function of a novel dienelactone hydrolase

C. Roth, M. Schlömann and N. Sträter

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The structural domains of the early B-cell factors (EBF)

M. I. Siponen, M. Wisniewska, L. Lehtiö, I. Johansson and H. Berglund

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Structural insight into Neisseria meningitidis PorB during pathogenesis

M. Tanabe, C. Nimigean and T. Iverson

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Structure of the essential enzyme ThiM from the bacterium Staphylococcus aureus

J. Drebes, M. Perbandt, C. Wrenger and C. Betzel

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Structural characterization of the aromatic monooxygenases PhzO and TcpA

E.-M. Gazdag, D. V. Mavrodi, L. Xun, L. S. Thomashow and W. Blankenfeldt

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Structural and functional studies of phenazine biosynthesis protein PhzE, a 2-amino-2-desoxyisochorismate synthase

Q. Li, D. V. Mavrodi, L. S. Thomashow, M. Roessle and W. Blankenfeldt

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The secretome of parasitic nematodes: analysis of host-parasite cross-talk

M. Perbandt, R. Eberle, K. Lüersen, E. Liebau and C. Betzel

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Crystal structure of Enterococcus faecalis thymidylate synthase

C. Pozzi, M. Benvenuti, S. Ferrari, R. Luciani, A. Catalano, R. M. Stroud, M. P. Costi and S. Mangani

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Binary complex of 14-3-3σ/p53 pT387-peptide and implications for stabilization

B. Schumacher, J. Mondry, P. Thiel, M. Weyand and C. Ottmann

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Recognition of the CD1d-alpha-galactosyl-ceramide analogues by the NKT T cell receptor

K. S. Wun, S. S. Pang, G. Cameron, O. Patel, D. G. Pellicci, J. McCluskey, D. I. Godfrey, S. A. Porcelli and J. Rossjohn

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Diffuse scattering in the Zn₆Sc 1/1 cubic approximant

T. Yamada, C. P. Gomez, R. Tamurab, H. Euchner, A. Yamamoto and M. de Boissieu

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Ir_nZn_26−n (n = 4,6,7): recurring γ-brass-like phases in the binary system iridium-zinc

A. Authmann, W. Hornfeck, R. Henderson, S. Lee and B. Harbrecht

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X-ray studies of martensitic transformation in the Fe-Ni alloys rapid quenched from melt

R. M. Delidon and V. Y. Danilchenko

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Crystal structure of the Li₁₈Cu₁₅Al₇ intermetallic compound

G. Dmytriv, V. Pavlyuk, I. Tarasiuk, H. Ehrenberg, I. Chumak and H. Pauly

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Fe-Ni-C alloy crystalline structure of tempered martensite

V. Iakovlev and V. Danilchenko

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Cd-rich cadmides of the system Na/K/Cd

V. Mihajlov and C. Röhr

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Coherent scattering domain measurements in Al-Cu-Fe alloys during in situ heating

C. Mihoc, M. Stir and E. Burkel

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In situ neutron diffraction measurement on Co-Re alloys at high temperature

D. Mukherji, P. Strunz, R. Gilles, M. Hofmann, M. Hölzel and J. Rösler

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Binary lanthanum stannides: LaSn₂, La₂Sn₅, La₃Sn₇, LaSn₃

M. Schwarz, I. Dürr and C. Röhr

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Influence of low-temperature aging on the crystalline structure of the carbon martensite

V. Tarasov, V. Danilchenko and V. Iakovlev

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A high-pressure study of Realgar

D. M. Többens, R. Sagl and C. Hejny

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Neutron investigation of martensitic and superelastic shape memory NiTi wire

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Structural study by X-ray profile analysis and thermodynamics properties of Cu-Cr and Cu-Mo alloys processed by mechanical alloying

C. Aguilar, P. Roja, S. Ordoñez and D. Guzman

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The crystal structure of FeAl₂

I. Chumak, K. W. Richter and H. Ehrenberg

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Correlation of structure and conductance in nanowires

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Long-range order and thermal stability of thin Co₂FeSi films on GaAs

B. Jenichen, J. Herfort, K. Kumakura, T. Hentschel and A. Trampert

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On the structure of a geopolymer binder

E. M. Mielcarek and C. H. Rüscher

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Thermal annealing effect on cation inversion and particle size of Zn-ferrite

B. Antic, A. Kremenovic, J. Blanusa, L. Bessais and E. S. Bozin

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Crystal structure behaviour prediction in the RAlO₃-R′AlO₃ system

T. Basyuk, S. Fedeev, V. Berezovets, D. Trots, S. Hoffmann, R. Niewa and L. Vasylechko

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Diffraction study of doped apatite-type La_9.33+x(Si_1−yAO₄)₆O_2+3x/2 (A = Fe, Al, Mg)

P. Beran, E. Jothinathan, J. Vleugels and O. van der Biest

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Structure and optical properties of natural low-dimensional semiconductors

R. S. Black and D. G. Billing

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Crystalline compounds of the system glycine-ZnCl₂-H₂O: crystal growth and optical properties

L. Bohatý, A. A. Kaminskii and P. Becker

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Synthesis and structural properties of ZnO films grown by spray pyrolysis of zinc acetate solution

N. Castillo, R. Esparza, J. Velazquez, A. C. Gallardo and M. J. Yacaman

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Effects on the physical properties of cation substitution in (La,Sr)CoO₃ perovskite system

A. Cheikhrouhou, M. Koubaa, N. Mahfoudh and W. Cheikhrouhou-Koubaa

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Kinetic and magnetic studies of the phase behaviour in LiFePO₄-FePO₄ mixed crystals

J. Davaasambuu, N. Tuvjargal, F. Güthoff, P. Axmann, S. Demeshko and G. Eckold

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Magnetic and electrical properties of InSe_1−xFe_x(Co_x) in relation to nano-structure

K. El-Sayed, Z. K. Heiba, K. Sedeek, Z. K. Heiba and H. H. Hantour

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The thermoresponsive phase behaviour of CuSICON: CuM₂P₃O₁₂ [M = Ti, Zr, Sn and Hf]

R. P. Forbes and D. G. Billing

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Structure investigations in the V-Mo-Te-O system

L. Giebeler, H. Ehrenberg, G. Miehe and H. Fuess

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Modulation of properties in a series of porous hybrid metal oxides

N. Guillou, C. Livage and P. Rabub

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Impact of pyroelectric LiNbO₃ and LiTaO₃ on water, organic dyes and E. coli

E. Gutmann, A. Benke, K. Gerth, E. Mehner, C. Klein, U. Krause-Buchholz, W. Pompe and D. C. Meyer

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Synthesis of new stoichiometric barium bismuth borates BaBi₂B₂O₇, BaBi₁₀B₆O₂₅, BaBi₈B₂O₁₆

M. Hovhannisyan, R. Hovhannisyan, H. Alexanyan and N. Knyazyan

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Isomorphic (Mg, K) substitution in triple molybdate K_3+xLi_1−xMg₄(MoO₄)₆

T. Yu. Kardash, Z. A. Solodovnikova, S. F. Solodovnikov and E. S. Zolotova

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Nanostructured random type MgFe₂O₄ spinel prepared by soft mechanochemical route

A. Kremenovic, B. Antic, N. Jovic and M. Vucinic-Vasic

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Single-crystal growth and characterization of mullite-type Bi₂Me₄O₉ (Me = Ga, Al)

J. Ottinger, M. Mühlberg, M. Burianek, H. Schneider, J. Tonn, A. Danilewsky and D. Klimm

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New synthetic cyclosilicates as potential Li/Na-ionic conductors

S.-H. Park, C. J. Pietsch, I. F. Akter, J. Labbe, L. B. Garcia, C. Paulmann, A. Senyshyn and M. Hoelzel

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Nanohardness change of silicon and sapphire substrates by TiC/VC multilayers

P. Paufler, A. Belger and M. Reibold

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Transmission electron microscopy on stable and metastable Ge/Sb/Te phases

T. Rosenthal, M. Schneider and O. Oeckler

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Resonant diffraction study of concentration gradients in multinary antimony tellurides

M. N. Schneider, F. Fahrnbauer and O. Oeckler

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SAXS investigation of the surface fractal dimension of MnO₂ pyrolytic thin films

L. Skatkov and V. Gomozov

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Structural, magnetic, electrical and magnetocaloric properties in Pr_0.6Sr_0.4MnO₃/BaTiO₃ composites

M. Triki, E. Dhahri, M. P. F. Graça and M. A. Valente

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X-ray diffraction study of the electric-field-induced structural deformations in LiH₂PO₄

S. Wagner, O. Schmidt, U. Pietsch and L. Bohatý

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A temperature-dependent ⁵⁷Fe Mössbauer study of mullite-type Bi₂(Fe_xM_1-x)₄O₉ with M = Al and Ga

S.-U. Weber, O. Bartels and K.-D. Becker

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Correlation of microstructure and catalytic properties of gold-zirconia core-shell nanostructures

A. Dangwal-Pandey, R. Güttel, M. Leoni, F. Schüth and C. Weidenthaler

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Lattice dynamics of multiferroic BiFeO₃

E. Borissenko, A. Bosak, P. Rovillain, M. Cazayous, M. Goffinet, P. Ghosez, D. Colson and M. Krisch

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First single-crystal neutron diffraction results on PZT structure

A. M. Glazer, D. Phelan, X. Long, Y. Xie, Z.-G. Ye, H. Yokota, P. A. Thomas and P. M. Gehring

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Crystal structure of Li₂B₄O₇

A. Senyshyn, B. Schwarz, T. Lorenz, Y. Burak, V. Adamiv, J. Banys, R. Grigalaitis and H. Fuess

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Structural, magnetic, electrical and magnetocaloric properties in Pr_0.6Sr_0.4MnO₃/BaTiO₃ composites

M. Triki, E. Dhahri, M. P. F. Graça and M. A. Valente

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Twin structure and conductivity in LSGM

T. Tataryn, D. Savytskii, E. Schmidbauer, C. Paulmann and U. Bismayer

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A new model of localized plastic flow and failure of solids

L. Zuev and S. Barannikova

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TEM-based electron energy-loss spectroscopy of (In,Ga)N/GaN heterostructure nanowires: influence of strain and composition

H. Kirmse, I. Häusler, W. Neumann, P. Komninou, T. Kehagias, G. P. Dimitrakopulos, T. Karakostas, F. Furtmayr and M. Eickhoff

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Pressure-induced structures of PbS and Pb₆Bi₂S₉

A. Grzechnik, L. A. Olsen, E. Makovicky, T. Balić-Žunić, W. Morgenroth and K. Friese

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Investigation of the demixing process in the system Fe₃O₄ (magnetite)-FeAl₂O₄ (hercynite)

G. Eckold, H. Ritter, J. Davaasambuu and F. Güthoff

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Phase transitions in the BaMF₄ compounds at high pressures (M = Zn, Mg, Mn)

J. M. Posse, K. Friese, W. Morgenroth, M. Tolkiehn and A. Grzechnik

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Synchrotron Mössbauer source for geophysical studies at the ESRF

V. Potapkin, A. I. Chumakov, R. Rüffer, G. V. Smirnov, S. L. Popov, L. Dubrovinsky and C. McCammon

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Extended symbols for coordination polyhedra after Parthé (1990)

R. Allmann and R. Hinek

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Elastic properties and thermal expansion of acetylsalicylic acid

J. D. Bauer, E. Haussühl and B. Winkler

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Metal-insulator transitions in RE_1−xM_xTiO₃: evidence for charge order-stabilizing an insulating phase

A. C. Komarek, M. Reuther, T. Lorenz, A. Cousson, F. Bourrée, D. Trots, C. Baeths, W. Morgenroth and M. Braden

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Organosilyl and organotin plenary Lindqvist polyoxometalate derivatives

M. Debbabi and F. B. Driss

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Pressure-induced isostructural phase transformation in γ-B₂₈

N. Dubrovinskaia, E. Yu. Zarechnaya, R. Caracas, M. Merlini, M. Hanfland, Y. Filinchuk, D. Chernyshov, V. Dmitriev and L. Dubrovinsky

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Domain redistribution in SrTiO₃

H. Gibhardt, J. Sidoruk, J. Leist, K. Hradil, M. Meven and G. Eckold

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Monoclinic superstructure of mullite-type KAl₉O₁₄

B. Lazic, H. Krüger, R. Kaindl, A. Kremenovic and V. Cvetkovic

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Structural characterization of a new Pb/Sr based ferri-manganite presenting incommensurate shear structure by combining different techniques of transmission electron microscopy

C. Lepoittevin, S. Malo, J. Hadermann, H. Klein, M. Hervieu and G. van Tendeloo

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Crystal chemistry of SnX-PbX (X = S, Se) mixed crystals

S. Lobe, K. Bente, S. Gerhardt, M. Gampe, C. Koppka and D. Schrader

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Dense packing of identical ellipses with six contacting neighbours

T. Matsumoto and M. Tanemura

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Structure and energetics of the FeOOH polymorphs and their surfaces from first principles

K. Otte, R. Pentcheva and W. W. Schmahl

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Crystal structure solution of the mineral sanjuanite from laboratory powder diffraction data

F. Colombo, J. Rius and E. V. Panunzio

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High-resolution phase analyses and early crystallization processes of cement

M.-C. Schlegel, U. Mueller, U. Panne and F. Emmerling

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Elastic anomalies and electromechanical properties of tourmalines

C. S. Pandey and J. Schreuer

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Synthesis and characterization of indium-borate glass ceramics containing Ho_0.01Ce_0.74Zr_0.25O_1.995 nanorods via incorporation method

A. Abdolali, A. A. Khandar, A. Salem and L. Kafi-Ahmadi

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Crystal chemistry of silicofluorides

T. Balic-Zunic, A. Garavelli, D. Mitolo, P. Acquafredda, E. Leonardsen and S. P. Jakobsson

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Metamict titanite

T. Beirau, U. Bismayer and C. Paulmann

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Crystal chemistry of synthetic semiconductors Pb₅Sb₄S_11−mX_m (X = Te, Se)

K. Bente, G. Wagner, R. Kaden, S. Gerhardt and S. Lobe

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Comparative study of the stability of various crystallographic phases with composition and stress in the multiferroic BiFeO₃-xPbTiO₃ system

S. Bhattacharjee and D. Pandey

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Environmental aspects of mineral synthesis through interaction of smoke gases from biomass burning and low-grade MnO₂ ores

A. F. Bishay and R. S. Moharb

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Saccharide yield from interacted biomass with oxide minerals for separation and fractional crystallization in acidic route of mineral processing

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Al/Si-ordering phenomena in sanidine megacrystals from the Eifel

K. Demtröder, S. Dehn, M. Gopon and J. Schreuer

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Core-shell Ni_0.5TiOPO₄/C composites as anode materials in Li ion batteries

R. Essehli, B. ElBali, Z. Zhou and H. Fuess

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X-ray diffraction study of σ-phase formation in super duplex stainless steel

J. Garin, R. Mannheim and M. Camus

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Microstructure of coke deposited by a high-temperature process

S. Gerhardt, R. Staudt, K. Bente and J. Hofmann

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Mullite-type (Bi_1−xSr_x)₂Al₄O_9−x/2: HT-XRPD, TEM and XPS investigations

T. M. Gesing, M. Schowalter, C. Weidenthaler, A. Rosenauer, H. Schneider and R. X. Fischer

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Polytypism in Na[C₆H₄Cl(SO₃)]·H₂O analysed by order-disorder (OD) theory

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

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RT and high-T crystal structure of ferroelastic (TMA)₂[TiF₆]

O. F. Göbel, G. van Hummel and J. E. ten Elshof

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A structural study of the lithiophilite-sicklerite series

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Invariant relations between the moduli squares of reciprocal lattice vectors

R. Heinemann, D. Stöckelmann, H. Kroll and W. Hoffmann

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3-D transition metal phosphate zeotypes: piezochromicity, polymorphism and magnetism

P. F. Henry, S. A. J. Kimber and D. N. Argyriou

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The crystal structure of magnesioneptunite in the context of neptunite crystal chemistry

O. Karimova, O. Yakubovich, A. Zadov, V. Gazeev, N. Pertsev and A. Ivanova

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Structural refinement of M₂Si₅N₈:Eu²⁺ (M = Ca, Sr, Ba) phosphor for light-emitting diode

Y.-I. Kim, Y.-H. Lee, K.-S. Ryu and K. B. Kim

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Synthesis of model tantalum(V) complexes for the separation of niobium and tantalum

R. Koen, H. G. Visser and A. Roodt

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Mixed thio-oxomolybdates A₂[MoS_xO_4−x] (A = NH₄, K, Rb, Cs; x = 2, 3): synthesis, structural chemistry, properties

A. J. Lehner, K. Kraut and C. Röhr

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Structural conditionality of changes of physical properties in K₃H(SO₄)₂ crystals

I. P. Makarova, T. S. Chernaya, A. A. Filaretov, A. L. Vasilev, I. A. Verin, V. V. Grebenev and V. V. Dolbinina

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Y₄H₈Si₃O₁₆: a naturally occuring defect silicate of the KDP structure type

T. Malcherek, J. Schlüter, B. Mihailova and T. A. Husdal

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Evolution of the shape of nanothin selenium crystals during their growth in amorphous films

A. Malkov, V. Malkov, V. Strekalovsky, O. Malkov and V. Puchin

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Structural peculiarities of sillenites

T. I. Mel'nikova, G. M. Kuz'micheva, V. B. Rybakov, N. B. Bolotina and A. Cousson

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New phases in the Li-Cu-B-O system: Li₃CuB₃O₇, Li₂Cu₉B₁₂O₂₈ and monoclinic Cu₃B₂O₆

D. Mikhailova, N. Kuratieva and H. Ehrenberg

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Crystallographic orientation relationship between bastnaesite, fluocerite and cerianite in a single crystal from the Pikes Peak pegmatites

M. M. Müller and H.-J. Kleebe

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Ordering in intercalated Co atoms and electron-density distributions of layered compounds on Co_xTiS₂

K.-i. Ohshima, T. Kawasaki and M. Takahashi

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Structural trends in the (emim)_m[A_n(Mo₈O₂₆)] (emim = 1-ethyl-3-methylimidazolium; m = 2, 3; n = 1, 2; A = K, Rb, Cs) group of compounds

A. Pakhomova and S. Krivovichev

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Comparison of HP data for X-ray diffraction in Be and diamond-backed DACs

B. Periotto, F. Nestola, L. Olsen, T. Balic-Zunic, R. Miletich and R. J. Angel

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Two novel (V₁₈O₄₂)-isopolyoxovanadates

S. Prinz and G. Roth

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Low-temperature single-crystal X-ray data of synthetic hydroromarchite, Sn₆O₄(OH)₄

H. Reuter and D. Schröder

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Structure and magnetic properties of new triple molybdates CsMZr_0.5(MoO₄)₃ (M = Al, Ga, In, Sc, Cr, V, Fe)

A. Sarapulova, T. Namsaraeva, D. Mikhailova, B. Schwarz, H. Ehrenberg, Z. Bazarova and B. Bazarov

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High-temperature elastic properties of sanidine

P. Schröer, P. Sondergeld and J. Schreuer

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Crystal Structures of [M^A(NH₃)Cl]M^BO₄ (M^A = Co, Rh, Ir; M^B = Mo, W)

E. Shusharina, S. Khranenko, P. Plusnin and S. Gromilov

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Two modifications of Pd₂(μ-CH₃COO)₂(CH(CH₃CO)₂)₂

E. Shusharina, S. Khranenko and S. Gromilov

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First example of crystal structure containing [RhNH₃(NO₂)₅]²⁻ anion

E. Shusharina, A. Rybinskaya, P. Plusnin, S. Korenev and S. Gromilov

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High-resolution X-ray diffraction experiments for selected minerals

M. Stachowicz, M. Malinska, J. Parafiniuk and K. Woźniak

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Structural investigations of Li₃Ti(MoO₄)₃

A. Thomas, D. Mikhailova and H. Ehrenberg

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Synthesis and structural studies of ammonium-cobalt-nickel phosphates, NH₄[Co_1−xNi_xPO₄]·H₂O

L. Torre-Fernández, C. Trobajo, J. R. García and S. García-Granda

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Phase stability of YBaCo₄O₇ at temperature range 600-1000°C

M. Valkeapää, J. Jäämaa and M. Karppinen

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Lattice dynamics of rutile and anatase: implications for phase stability

V. Vlček, G. Steinle-Neumann and E. Holbig

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Crystal structures of NaTiO[AsO₄], NaTi₂[AsO₄]₃, NaKAl₂O[AsO₄]₂ and Na₂KAl₃[AsO₄]₄

H. B. Yahia, U. Ch. Rodewald and R. Pöttgen

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Intermediates in the course of the synthesis of tin(II) bromide, SnBr₂

F. Ye and H. Reuter

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Structure deformation and spectroscopic properties of blue halite from Kłodawa

S. Zelek and K. Stadnicka

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Inelastic X-ray scattering from phonons

E. Borissenko, B. Wehinger, A. Walters, A. Bossak and M. Krisch

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High-pressure effects on the crystal and magnetic structure of Pr_0.7Ca_0.3MnO₃

D. Sangaa, D. P. Kozlenko, S. E. Kichanov, T. A. Tran, Z. Jirák and B. N. Savenko

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High-pressure structural studies of selected dicarbides

I. Efthimiopoulos, G. V. Vajenine, E. Stavrou, K. Syassen, St. Liebig, U. Ruschewitz and M. Hanfland

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Texture determination of ferroelectrics from in situ X-ray diffraction

M. Hinterstein, M. Knapp, H. Fuess and H. Ehrenberg

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Metastable Bi₂O₃ polymorphs obtained by high pressure and high temperature

T. Locherer, S. Ghedia, A. Senyshyn, D. L. V. K. Prasad, R. Dinnebier and M. Jansen

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High-pressure single-crystal structure investigations of sillenites

L. Wiehl, A. Friedrich, E. Haussühl, W. Morgenroth and B. Winkler

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Compressed alkali and alkali-earth metals: understanding structure through Jones zone activation

V. F. Degtyareva

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High-pressure behavior of bismuth iron oxide Bi₂Fe₄O₉

J. Biehler, A. Friedrich, W. Morgenroth, L. Wiehl, B. Winkler, M. Hanfland, M. Tolkiehn, M. Burianek and M. Mühlberg

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Self-assembly of fundamental building blocks (FBB) in borate structures

R. Bubnova and S. Filatov

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Studies on the decomposition of tungsten hexacarbonyl, W(CO)₆

N. Rademacher, L. Bayarjargal, B. Winkler, H. Kim, K. Page and T. Proffen

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Compressional behaviour of diomignite, Li₂B₄O₇

D. M. Trots, A. Kurnosov, T. B. Ballaran, L. Vasylechko, M. Berkowski and D. J. Frost

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Crystallographic characterisation of copper-based shape memory alloys

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Pressure-induced phase transition of KIO₃

L. Bayarjargal, B. Winkler, A. Friedrich, J. Biehler, F. Schröder and E. A. Juarez-Arellano

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New layered high-pressure phase of AsS

N. B. Bolotina, V. V. Brazhkin, T. I. Dyuzheva, A. G. Gavriliuk, A. G. Lyapin, S. V. Popova and S. Samulski

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Structure mechanism of decomposition of Mn_3−xAl_xO₄ and La_1−xCa_xMnO₃ solid solutions

O. Bulavchenko, E. Gerasimov, S. Cherepanova, S. Tsybulya and L. Isupova

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High-pressure structure and compressibility of ZnAl-CO₃ LDHs

J. Darul, W. Nowicki, P. Piszora and C. Lathe

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Neutron diffraction on functional materials at extreme conditions

M. Hoelzel, F. Dolci, E. Weidner, J. Hu, W. Schmahl, C. Merkel, M. Hinterstein, N. Juenke and H. Fuess

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Effect of high-pressure treatments on the structure of R₂(MoO₄)₃ (R = Eu, Gd, Sm) single crystals

E. Kudrenko, S. Khasanov, S. Shmurak, B. Redkin and V. Sinitsyn

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XIPHOS: expanding the experimental envelope to extreme sample environments

M. R. Probert, J. A. Coome, C. M. Robertson, J. A. K. Howard and A. E. Goeta

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Phase transition in FeOCl

J. Zhang, A. Wölfel, L. Li and S. van Smaalen

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Thermomechanical properties of mullite-type Bi₂M₄O₉ and Bi₂Mn₄O₁₀ compounds

T. F. Krenzel, J. Schreuer, M. Burianek, M. Mühlberg and H. Schneider

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Prediction of unusual reactivity of siloxanes from electronic properties

S. Grabowsky, M. F. Hesse, W. Morgenroth, C. Paulmann, J. Beckmann and P. Luger

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Fast property comparison of fluoroquinolones with the revised Invariom database

J. J. Holstein, C. B. Hübschle and B. Dittrich

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Estimation of intermolecular interactions of the nucleic acid bases

K. N. Jarzembska and P. M. Dominiak

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Hirshfeld surfaces from experimental charge-density data

R. Kamiński, A. A. Hoser and K. Woźniak

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Magnetoelastic coupling in the triangular lattice antiferromagnet CuCrS₂ investigated by neutron and X-ray diffraction, neutron polarimetry and inelastic neutron scattering

J. C. E. Rasch, M. Boehm, C. Ritter, H. Mutka, J. Schefer, L. Keller, G. M. Abramova, A. Cervellino and J. F. Löffler

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On the significance of low- and zero-intensity observations

J. Henn and K. Meindl

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Remarks on an erroneous omission of an ellipse in the gap of the hyperbola in the dispersion curves

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Experimental charge-density studies, electrostatic and topological analysis of 1-(2′-aminophenyl)-2-methyl-4-nitro-1H-imidazole crystals

A. Paul, M. Kubicki, C. Lecomte and C. Jelsch

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An extinction-free technique for pole-density measurements of textures by XRD

I. Tomov and S. Vassilev

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Complexity of aperiodic structures

S. I. Ben-Abraham and A. Quandt

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Positional average structure from an incommensurately modulated crystal of profilin:actin

G. E. O. Borgstahl, J. C. Porta, J. J. Lovelace and A. M. M. Schreurs

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Incommensurate BiMO₃ perovskites: Bi₂Mn_2/3M_2/3Ni_2/3O₆ and Bi₂M′M′′O₆

J. B Claridge, H. Hughes, M. Allix, S. Chong, R. Szczecinski, M. Suchomel and M. Rosseinsky

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Electronic transport through aperiodic sequences of quantum dots

P. U. Korotaev, Yu. Kh. Vekilov and N. E. Kaputkina

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Superspace description of perovskite-related La₆Ti₄Fe₂O₂₀ at different temperatures

A. Wölfel, S. van Smaalen and F. Lichtenberg

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Local atomic order in apparently disordered crystals: what we can learn from pair distribution function

R. Černý, Y. Filinchuk, J. Ropka and Y. Li

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α-'NaLuF₄': a crystal with twinning, modulation and diffuse scattering

P. P. Das, L. Palatinus, H.-B. Bürgi and A. Linden

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Diffuse X-ray scattering from correlated dislocations in epitaxial layers

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Phase transitions in the lead-free mixed perovskite piezoelectrics

M. Korablev-Dyson, S. Vakhrushev and D. Chernyshov

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Local order and diffuse scattering in ferroelectric oxides

M. Paściak, D. Goossens, R. Whitfield, R. Withers and T. R. Welberry

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Diffuse neutron scattering in high-temperature phase of relaxor PbMg_1/3Nb_2/3O₃

R. Burkovsky, S. Vakhrushev, K. Hirota and M. Matsuura

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Twins in SrFe_0.95Mo_0.05O_2.58: Debye simulation of XRD patterns

S. Cherepanova, U. Ancharova, O. Savinskaya and A. Nemudry

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Software for interpreting diffuse neutron and X-ray scattering data

M. Chodkiewicz, H.-B. Bürgi and T. Weber

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The phase transition in the (NbSe₄)_10/3I charge-density-wave system

J. Kusz, M. Zubko, A. Prodan, H. J. P. van Midden, J. C. Bennett and H. Böhm

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Undulation fluctuations in the smectic A phase of goethite nanorods

A. V. Petukhov, E. van den Pol, D. V. Byelov, D. M. E. Thies-Weesie and G. J. Vroege

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PDFView - a program for processing 3D pair distribution function data

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Computer simulation of diffuse scattering in Fe(II) spin crossover compounds

M. Zubko, R. Neder, J. Kusz and P. Zajdel

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The Debye scattering formula in n dimensions

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Kikuchi patterns with temperature diffuse scattering maximums

R. Karakhanyan and K. Karakhanyan

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Refinement of structural parameters of PbTiO₃ by convergent-beam electron diffraction

R. Schierholz, K. Tsuda and H. Fuess

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TEM heating experiment on lead-free piezoceramics

J. Kling, L. Schmitt, H.-J. Kleebe, W. Jo, J. Rödel and H. Fuess

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Comparative diffraction studies of lead-free piezoceramics

L. A. Schmitt, J. Kling, M. Hinterstein, W. Jo, H.-J. Kleebe, J. Rödel and H. Fuess

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Deuterium disturbs - influence of deuterium on the aggregation of pyridine-N-oxides

V. Vasylyeva and K. Merz

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Alternative crystal forms of the antihypertensive perindopril erbumine

V. André, M. T. Duarte, L. Cunha-Silva and P. P. Santos

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Hydrogen-bond interaction energies of selected n-alkyldiammonium halide salts

C. Arderne-van Blerk and G. J. Kruger

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Structural study of amine and amino acid salts consisting nitrate anions

N. Benali-Cherif

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Asymmetrically substituted distyrylbenzenes and their polar crystal structures

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

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Ionic and neutral forms of ibuprofen within a co-crystal

P. Bombicz, P. Molnár, E. Székely and B. Simándi

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p-Toluidinium nitrate

H. Boussekine and N. Benali-Cherif

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Hydrogen bonding in anilinium hydrogensulfate

Z. Boutobba and N. Benali-Cherif

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16 independent molecules for an ortho-palladated primary amine

B. Braun and U. Englert

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Multi-component crystals of dihydroergocornine

J. Čejka, B. Klepetářová, R. Zajícová, B. Kratochvíl and A. Jegorov

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Crystal structure of new binuclear molecule [Cd₂(NioxH)₂(bpetha)(CH₃COO)₄(H₂O)₂

L. Croitor, E. B. Coropceanu, M. M. Botoshansky and M. S. Fonari

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Hydrogen-bonding graph-set motifs in p-aminobenzoic acid derivatives

A. Direm and N. Benali-Cherif

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Polymorphic salts of the antibiotic 4-aminosalicylic acid

M. T. Duarte, V. André, D. Braga and F. Grepioni

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Red [K(2,2,2-crypt)]₂[{Ta₆}Cl₁₈] featuring the 14-electron {Ta₆} cluster

K. Dücker and G. Meyer

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Pressure enhancement of CH⋯O interactions in simple ethers

D. Jęczmiński, K. F. Dziubek and A. Katrusiak

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Hydrogen-bonding and π-π stacking interactions in some important triheterocycles

M. M. Jotani, R. D. Shah, J. P. Jasinski, E. R. T. Tiekink and R. J. Butcher

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The influence of substituent variation and packing forces on the conformation of biphenyl derivatives

G. J. Kruger and C. W. Holzapfel

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A modulated cocrystal: N′-(propan-2-ylidene)nicotinohydrazide and sebacic acid

H. Krüger, V. Kahlenberg, A. Lemmerer and J. Bernstein

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Fluconazole and its cocrystals with maleic and glutaric acids

I. Leban, N. Lah, Z. Hodnik, D. Kikelj and J. Kastelic

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Crystal packing in a series of N-phenyl-2-naphthamide derivatives

J. Simpson, A. Saeed and R. A. Khera

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Highly interpenetrated organic networks formed by halogen bonding

G. Terraneo, G. Cavallo, P. Metrangolo, T. Pilati and G. Resnati

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The co-crystallization of trimethoprim with glutarimide derivatives by means of molecular recognition

C. Q. Ton and E. Egert

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Molecular interactions in complexes of 4,4′-dinitrobiphenyl

P. van Rooyen, D. Liles and E. Modau

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Low-melting molecular complexes of chloroform and dichloromethane

D. S. Yufit and J. A. K. Howard

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Absolute structure of two derivatives of a longipinene from Stevia lucida

G. Díaz de Delgado, P. A. Chacón, J. M. Amaro-Luis, H. Park and J. M. Delgado

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Preparation and characterization of Sb₂S₃ nanorods and nanoparticles via hydrothermal condition

A. Alemi and Y. H. Firouzsalari

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Synthesis of nanocrystalline intermediate phase between cancrinite and sodalite

C. Grader, L. Robben and J.-C. Buhl

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Hydrogen thin structure of nano-dispersed powders of rare earth oxides and fluorides produced from amorphous precursors

I. Shmytko, G. Strukova and E. Kudrenko

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An algorithm to compute the electro-elastic fields for layers of unrestricted anisotropy

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DFT studies of 2-methyl-6-[2-(trifluoromethyl)phenyliminomethyl]phenol: in gas phase and solvent media

U. Ceylan, H. Tanak and R. Tapramaz

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The molecular dipole moment of a nonlinear optical compound 4,4-dimethylcyanobiphenyl (DMACB): theoretical and X-ray diffraction study

A. Chouaih, N. Boubegra, M. Drissi and F. Hamzaoui

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On the use of single-crystal diffractometer data necessary for performing the 2nd and 4th restricted moment method

P. Dasgupta and B. Mondal

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Theoretical and crystallographic calculations on meta-nitrophenol: a nonlinear optical compound

F. Hamzaoui, M. Drissi, N. Boubegra and A. Chouaih

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PPDock-Portal Patch Dock: a web server for drug virtual screen and visualizing the docking structure by GP and x-score.

P.-T. Huang, P.-H. Lo, C.-H. Wang, C.-T. Pang and K.-L. Lou

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Crystal structures and radical-scavenging mechanism investigation by X-ray and quantum mechanical methods of antioxidant triazolyl-benzimidazole derivatives

A. Karayel, S. Özbey, G. Ayhan-Kılcıgil and C. Kuş

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CRYSTAL and CRYSCOR: two powerful tools for the ab initio study of crystalline solids

L. Maschio, B. Civalleri, S. Casassa, R. Orlando, C. Pisani and R. Dovesi

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Structure and molecular dynamics of bis-1,2,4-triazole succinic acid molecular crystals

A. Pietraszko, J. Baran, K. Pogorzelec-Glaser, B. Hilczer, J. Małecki and M. Połomska

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Stoichiometric reduction of coordination polymers by organometallic complexes

M. Meilikhov, K. Yusenko, A. Torrisi, C. Mellot-Draznieks and R. A. Fischer

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X-ray study of fluorine-graphite intercalation compounds CF_0.25 and CF_0.33

A. Alexeyev, A. Danilenko and S. Gromilov

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Dynamic and reversible contraction in {Ni₃(H₂O)₃(Bpa)₄}(V₆O₁₈)]·8H₂O vanadate

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

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Synthesis and characterization of B(OH)₄-H₂O enclathered gallogermanate sodalite

I. Poltz, L. Robben and J.-Ch. Buhl

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Robust alkaline earth arenedisulfonate metal-organic frameworks materials

A. E. Platero-Prats, N. Snejko, A. Monge and E. Gutiérrez-Puebla

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Tautomerism from X-ray powder data? The challenging case of CLT acid, C₇H₈ClNO₃S

S. L. Bekö, S. D. Thoms, J. Brüning, E. Alig, J. van de Streek, A. Lakatos, C. Glaubitz and M. U. Schmidt

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Halogen bonding in DABCO-I₂ complexes and N-substituted 3-iodopyridinium halides

A. Valkonen and K. Rissanen

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Investigation of hydrogen bonds at low temperatures using polarized Raman spectroscopy and single-crystal X-ray diffraction

B. A. Zakharov, B. A. Kolesov and E. V. Boldyreva

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Halogen⋯halogen interactions from experimental charge-density analysis

E. Espinosa, T. T. T. Bui, S. Dahaoui, C. Lecomte and G. R. Desiraju

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Halogen bonds: mechanosynthesis, unusual acceptors and metal-organic materials

T. Friščić and W. Jones

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Supramolecular coordination networks of metal polycarboxylate complexes

W. Clegg, R. Gill, R. W. Harrington and J. M. Holcroft

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Oriented supercrystals of anisotropic iron oxide nanoparticles

S. Disch, E. Wetterskog, G. Salazar-Alvarez, R. P. Hermann, L. Bergström and T. Brückel

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A supramolecular compound mimicking the Cu-containing active site of pMMO enzyme

M. Grzywa, B. Bredenkötter, D. Volkmer, W. Nitek, J. Sonntag and E. Klemm

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Defect engineering in colloidal photonic crystals

J. Hilhorst, J. Wolters and A. Petukhov

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Magnetic exchange interactions through H-bonds in copper(II) carboxylates

J. Moncol, M. Korabik and D. Valigura

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Cocrystals of flucytosine: models for drug-receptor interactions

M. Tutughamiarso and E. Egert

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Shape similarity and chiral resolution of Tröger's bases

C. M. L. Vande Velde and S. Sergeyev

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Counterion and conformation ligand effect on the crystal structure of novel Ag(I) coordination polymers

I. Brito, J. Vallejos and M. Bolte

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The crystal structure of a mixed-metal basic trifluoroacetate of aluminium and zinc: [AlZn(μ₄-O(O₂CCF₃)₃]₄

G. Genchev and W. Frank

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Hydrogen-bonded networks within dicarboxylates and guanidine assemblies

S. Habi-Benhariz, K. Aliouane, A. Guehria-Laïdoudi, S. Dahaoui and C. Lecomte

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Supramolecular associations in bisimidazole derivative/formic acid solvates

L. Izotova, J. Ashurov, S. Talipov, B. Ibragimov and E. Weber

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Interplay between H-bonding and metal coordination in tetraphosphonate cavitands

C. Massera, M. Melegari, E. Dalcanale and F. Ugozzoli

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Disorder in self-assembed halogen-bonded perfluoroalkyl onium salts

T. Pilati, A. Abate, G. Cavallo, P. Metrangolo, G. Resnati and G. Terraneo

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Synthesis and crystal structure of diethyltin bisdihydrogenphosphate, (Et₂Sn)(H₂PO₄)₂

M. Reichelt and H. Reuter

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The crystal structure of α-sodium stearate NaC₁₈H₃₅O₂·0.5H₂O

A. C. Schaap and W. Frank

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Engineering metal-organic frameworks with a triazole-tetrazole ligand

B. Tinant, A. D. Naik, M. Monaux and Y. Garcia

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Zn₂(O₂CCF₃)₄ and Zn₇O₂(O₂CCF₃)₁₀ - syntheses and crystal structures

N. van Gellecom, G. Genchev and W. Frank

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Novel 2D assembly of triptycene cation radicals versus traditional 1D motifs

S. V. Lindeman, K. Thakur and R. Rathore

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Synthetic polymers in biological environment

J. Hašek, J. Dohnálek, T. Skálová, J. Dušková, A. Štěpánková and P. Kolenko

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Structure-property relationships in acenes and pyrenes for organic electronics

M. R. J. Elsegood

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Possible polyamorphic relationship between liquid and crystalline phases in SnI₄

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Co(pym)(VO₃)₂ and Co(H₂O)₂(VO₃)₂·2H₂O: structure, magnetic properties and relationships

E. S. Larrea, J. L. Pizarro, J. L. Mesa, J. Rodríguez-Fernández, T. Rojo and M. I. Arriortua

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Magneto-structural D-correlations in metal complexes

J. Titiš and R. Boča

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The structure of poly[di-μ₃-acesulfamato-O,O:O′;O′:,O,O-di-μ-acesulfamato-O,O;N-di-μ-aqua-dicalcium(II)]: a two-dimensional coordination polymer

G. Demirtaş, N. Dege, H. İçbudak and O. Yurdakul

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Non-triglyceride structuring of edible oils and emulsions

R. den Adel, A. Bot, E. Roijers and E. Flöter

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Synthesis and structural resolution of C₁₄H₁₃N₃S·H₂O, a new thiosemicarbazone

E. Fernández-Zapico, R. Mendoza-Meroño, L. Menéndez-Taboada and S. García-Granda

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Structural and systematic studies of a 3x3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides

J. F. Gallagher, P. Mocilac and A. J. Lough

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Planarity of tuberculostatic (aryl)heteroaroyl- and heteroarocarbonimidoyl-dithiocarbazonic acid esters

M. L. Główka, A. Olczak, J. Gołka, M. Szczesio and K. Gobis

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Structure and magnetic properties of manganese(III) Schiff base hexacyanoferrate polymeric compound

A. Karaoglu, H. Kara, R. Kurtaran, A. Azizoglu, R. Hughes and M. F. Haddow

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Structural and magnetic transitions in ionic fullerene complexes with metalloporphyrins

S. Khasanov, L. Zorina and D. Konarev

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Single-crystal diffraction investigation of the transition mechanism in a gradual spin-crossover molecular material

S. Lakhloufi, A. Kaiba, M.-H. Lemée-Cailleau, J. F. Létard and P. Guionneau

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Synthesis and structural resolution of C₂₁H₁₉NO, a new alpha-aminoketone

R. Mendoza-Meroño, L. Menéndez-Taboada, S. García-Granda and F. Nápoles-Esculary

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Crystal structure of butyl and propyl N-(3-chloropropyl)-(2S)-alaninate

L. Menéndez-Taboada, S. García-Granda, D. Dimitrijević, G. Vasić, N. Radulović, M. Vukićević, R. D. Vukićević and S. R. Trifunović

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Conformation effect in engineering new magnetic materials

A. Messai, A. Direm, N. Benali-Cherif and D. Luneau

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Structural and conformational analysis studies of a 3x3 isomer grid of methyl-N-(pyridyl)benzamides

P. Mocilac, A. J. Lough and J. F. Gallagher

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Spin transition in iron(III) complexes with pseudohalide terminal ligands

I. Nemec, R. Herchel, Z. Trávníček, I. Svoboda and W. Linert

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Mononuclear Co(II) complex with large zero-field splitting

B. Papánková, R. Boča, L. Dlháň, I. Svoboda and H. Fuess

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Triphenylguanidine salts: hydrogen bonding and NLO properties

P. S. Pereira Silva, M. Ramos Silva, J. A. Paixão and A. Matos Beja

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CRAFT database for development and testing force fields

L. Pereyaslavets and A. Finkelstein

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Structural study of five novel spiro-1,2-oxaphosphetanes

L. Roces, S. García-Granda, J. García López, A. Morán Ramallal, J. González, P. M. Sansores Peraza, M. J. Iglesias and F. López Ortiz

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Synthesis and crystal structure of aqua[N,N′-bis(3-methoxysalicylidene)propane-1,2-diaminato]methanolmanganese(III) perchlorate

B. Safak and H. Kara

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Structure and optical properties of natural low-dimensional semiconductors

D. G. Billing and R. S. Black

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Salts of guanylurea - novel materials promising for optical applications

M. Fridrichová, I. Němec, I. Císařová, P. Němec and J. Kroupa

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Crystallographic study of N-O Schiff bidentate rhenium and copper complexes

A. Brink, A. Roodt and H. G. Visser

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Two heteronuclear coordination compounds with Ni^IIM^II nuclear structure

A. Akay, U. Ergun, E. Gökçınar, I. Svoboda and O. Atakol

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Synthesis, crystal structure and magnetic properties of a cyano-bridged two-dimensional assembly [Fe(L)]₂[Fe(CN)₆]

F. C. Alakus and H. Kara

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Novel chiral MOFs constructed by both mixed metals and dicarboxylate ligands

Z. Amghouz, L. Roces, J. R. García, S. García-Granda, B. Souhail, L. Mafra, F.-n. Shi and J. Rocha

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Two new Co(II) complexes with NNN-type pyrazol ligands

O. Atakol, S. Öz, I. Svoboda, S. Durmuş, R. Kurtaran and C. Arıcı

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Supramolecular architecture of novel hydroxamato complexes of Os(II) and Ru(II)

A. C. Bényei, G. Paragh, N. Balázs, A. Godó, Z. T. Nagy and P. Buglyó

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Crystal structure of Na₃MoCl₆ - a new 3-1-6 phase of molybdenum(III)

M. Beran and G. Meyer

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Silver(I) isobutyrate, Ag(i-OBu), with dimers connected to layers, not chains

T. Bierke and G. Meyer

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Characterization and antimicrobial activities of cobalt-pyrazine-2,3-dicarboxylate complexes

O. Büyükgüngör, O. Z. Yeşilel, A. Mutlu and C. Darcan

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Crystallographic study of the system Ni(NO₃)₂-cyclam-[Ni(CN)₄]²⁻

J. Černák, M. Stolárová, M. Tomás and L. R. Falvello

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Powder diffraction as a tool for studying clusters and molecules in solution

A. Cervellino, A. Guagliardi, N. Masciocchi and A. Ceriotti

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A new Schiff base as a bridge in binuclear cobalt(III) dioximate

O. Ciobanica, P. Bourosh, V. Lozan, I. Bulhac and Y. Simonov

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Two wheel-and-axle binuclear copper(II) dioximates mediated by bpetha ligand

E. B. Coropceanu, L. Croitor, M. M. Botoshansky and M. S. Fonari

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One-dimensional coordination polymer of nickel(II) squarate with N,N,N′,N′-tetramethylethylenediamine, {[Ni(μ-sq)(H₂O)₂(tmen)]·H₂O}_n

N. Dege, H. Erer, O. Z. Yeşilel and Y. B. Alpaslan

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Structure and magnetism of dinuclear cobalt complexes containing furopyridine derivatives

L. Dlháň, J. Moncol and R. Boča

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New iron(III) undeca- and tetradecanuclear carboxylate clusters

A. Ellern, M. Speldrich, S. Baca and P. Kögerler

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Structure solution of mesityllithium from powder data

L. Fink, A. Hübner, T. Bernert, I. Sänger, E. Alig, M. Bolte, M. Wagner and H.-W. Lerner

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Crystal structure of Cu complex with pyridine-2,6-dicarboxylic acid and 9-aminoacridine

J. A. Gharamaleki, Z. Derikvand and H. Stoeckli-Evans

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Synthesis, molecular structure, spectroscopic studies of cyanide-bridged Mn(III)Ni(II) complex

E. Gungor, H. Kara and M. F. Haddow

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Synthesis and crystal structure of a vanadium(V) complex with salicylaldehyde isonicotinoylhydrazone

L. Gusina, I. Bulhac, D. Dragancea, Y. Simonov and S. Shova

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Redetermination of crystal structure of bis(salicylaldoximato)copper(II)

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Syntheses and crystal structure of bis(2-(2-thienyl)-4,5-dihydro-1H-imidazole) copper(I) iodide

H. Kargar, R. Kia and I. U. Khan

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A star-shaped iodocuprate(I) cluster anion crystallizing with a bulky Cu(I)-tetraazaphenanthrene cation complex: crystal structure of [Cu(Ph₄TAP)₂]₂[Cu₅I₇]

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Two novel ammin complexes of copper(II) with [Pd(CN)₄]²⁻ anion

J. Kuchár, V. Suchá, K. Harms and J. Černák

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New heterometallic Cu(I,II)/Mo(VI) oxide coordination polymers

L. Lukashuk, A. Lysenko and K. Domasevitch

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New imido-pyridine Ti(IV) anions

M. E. G. Mosquera, P. Gómez-Sal and S. Pedrosa

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Additional ligand in the Ru coordination sphere - the Hoveyda-type catalysts

A. Pazio, A. Makal, A. Szadkowska, K. Grela and K. Woźniak

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Isonicotinamide as bridging ligand in the coordination polymer Cu(Ina)₂(NO₃)₂

I. Pinkert and G. Meyer

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Crystal structures of [Cu(L)(C(CN)₃)₂]_n isomers and polymorphs (L = 1,10-phenanthroline or 2,2′-bipyridine)

I. Potočňák and K. Lacková

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Structural relationships between {ZR₆}X₁₂R and {ZR₆}X₁₀ type cluster complexes

C. Rustige and G. Meyer

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Crystalline odorants - syntheses and structures of adducts and clathrates of volatile molecules

S. Schnitzler, C. Merkens, R. Wang, Y. Wang, I. Kalf and U. Englert

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Synthesis, structures and characterization of diorganotin complexes

S. M. Lee, H. M. Ali and K. M. Lo

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Complexation properties of completely reduced meso-octamethylporphyrinogens (calix[4]pyrroles)

H. Stoeckli-Evans, G. Journot, F. Bruyneel and R. Neier

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Synthesis, crystal structure and magnetic properties of a novel di-μ₂-alkoxo bridged binuclear manganese(III) Schiff base complex

Y. Yahsi, H. Kara and L. Sorace

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The hexadecaiodide ion I₁₆²⁻. Synthesis and crystal structure of [Na(15c5)]₂I₁₆

I. Pantenburg, C. Fiolka and G. Meyer

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Two novel scandium croconate and mixed croconate-oxalate complexes

C. Bernini, N. Snejko, M. Iglesias, E. Gutierrez-Puebla and M. A. Monge

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Anisotropic modification of La₂NiO_4+δ single-crystal surfaces at 1273 K

N. Gauquelin, T. E. Weirich, J. Barthel, M. Schroeder, W. Paulus and M. Ceretti

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Topotactic phase transformation of 4H-Cu_yTa_1.10S₂ into 4H-Ta_1.10S₂

B. Harbrecht, W. Yan, O. Lemp, S. Zörb and K. Bohnen

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[Pt(tht)₄](CF₃SO₃)₂ in the temperature range 202-295 K

C. Hansson, L. Kirsten, A. Oskarsson and A. Roodt

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X-ray diffraction studies of intercalated dichalcogenides at different temperatures

S. K. Imran Ali, S. van Smaalen, S. Zoerb and B. Harbrecht

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Chemical mixing and Raman hard-mode spectroscopy in ferroelastic lead phosphate-arsenate: local symmetry splitting and multiscaling behaviour

U. Bismayer, E. K. H. Salje, T. Beirau, B. Mihailova and T. Malcherek

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Two polymorphs of DAEP anhydrate (C₁₄H₁₆N₂O₄) from powder diffraction data

J. Brüning, E. Alig, J. van de Streek and M. U. Schmidt

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Polymorphism of pentadecanedioic acid

T. Calvet, F. J. Novegil-Anleo, M. Font-Bardia, M. A. Cuevas-Diarte, P. Négrier and D. Mondieig

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Polymorphism as an obstacle for the applicability of methoxy-substituted distyrylpyrazines

A. Collas, I. Bagrowska, K. Aleksandrzak and F. Blockhuys

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Conformational flexibility of chlorpropamide molecule can generate new polymorph

T. N. Drebushchak, V. A. Drebushchak and E. V. Boldyreva

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Unprecedented solid-state chemical reaction - from (C₃N₂H₅)₃SbBr₆·H₂O to (C₃N₂H₅)₅Sb₂Br₁₁; polymorphism of substrate and products

A. Gągor, A. Piecha, R. Jakubas and A. Pietraszko

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Elucidation of crystallization processes - the polymorphism of nifedipine

M. Klimakow, K. Rademann and F. Emmerling

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Structural crystal-to-crystal phase transitions in 1,4-diaminium bis(dichloroacetate)

M. Kubicki, A. Paul and M. Szafrański

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Solid-state transition in [Cd(μ-Br)₂(py)₂]_∞

K. Lamberts and U. Englert

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Disorder of the (NH₄)₃H(SO₄)₂ in the high-temperature phase I: single-crystal neutron diffraction

Y. J. Sohn, K. Sparta, S. Prinz, M. Meven, H. Klapper, G. Roth and G. Heger

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Experimental and DFT studies of (E)-1-((3-bromophenylimino)methyl)naphthalene 2-ol

T. Akbal, A. Erdönmez and E. Ağar

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Structural analysis and DFT calculations of (E)-1-((4-chlorophenylimino)methyl)-napthalen-2-ol

A. Erdönmez, G. Alpaslan, M. Macit and O. Büyükgüngör

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Asp214→Ala mutation reorganizes the active site of Citrobacter freundii tyrosine phenol-lyase

D. Milić, T. V. Demidkina, D. Matković-Čalogović and A. A. Antson

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Experimental charge-density studies, electrostatic and topological analysis of 1-(2′-aminophenyl)-2-methyl-4-nitro-1H-imidazole crystals

A. Paul, M. Kubicki, C. Lecomte and C. Jelsch

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Supramolecular π-π and hydrogen-bond interactions in arylsulfonate complexes

R. D'Vries, N. Snejko, E. Gutiérrez-Puebla, M. Iglesias and M. A. Monge

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Verification of the properties obtained by using different pseudoatom databases

J. M. Bąk and P. M. Dominiak

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Electron-density studies of short intermolecular halogen bonds

U. Englert, R. Wang, T. Dols and C. W. Lehmann

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Anharmonic nuclear motion in charge-density studies

R. Herbst-Irmer, J. Henn and K. Meindl

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Chemical experimental charge-density study of γ-B₂₈

S. Mondal, S. van Smaalen, A. Schönleber, Y. Filinchuk, D. Chernyshov, E. Yu. Zarechnaya, L. Dubrovinsky and N. Dubrovinskaia

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Direct visualization of disordered polymer chain structure in polyoxymethylene crystal by MEM

K. Sugimoto, S. Sasaki, K. Tashiro, Y. Nakamura and M. Takata

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Electron charge density and topological analysis of coumarin dye

Y. B. M. Bisseyou, C. Jelsch, B. Guillot, J. Angyan, C. Lecomte and N. Lugan

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Electron charge-density distribution in an organic compound: 4,4-dimethylcyanobiphenyl (DMACB)

N. Boubegra, M. Drissi, A. Chouaih and C. Tabti

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The electron density of isoindole derivatives from synchrotron diffraction data

L. Chęcińska, M. Małecka, A. Rybarczyk-Pirek, C. Paulmann, S. Grabowsky and P. Luger

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Mismatched interactions in bis(phenolato) metal complexes

T. S. Dols, T. P. Spaniol, J. Okuda and C. W. Lehmann

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Electronic structure of Ni(II) complex of Schiff base and (S)-alanine

M. Fronc, J. Kozisek, A. Popkov and W. Scherer

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The application of UBDB to description of zinc fingers' electrostatic

A. Goral and P. Dominiak

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Experimental charge-density study and topological analysis for metal barbiturates

M. Gryl, A. Krawczuk-Pantula and K. Stadnicka

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Electronic structure of mixed valence Cu(I)-Cu(II) complex, [Cu₃(en)₂(CN)₄(H₂O)]

J. Kozisek, M. Fronc and M. Breza

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Charge-density studies on hydrogen bonds in chromone derivatives

M. Małecka, L. Chęcińska, A. Rybarczyk-Pirek, C. Paulmann and W. Morgenroth

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Vitamin D analogous - structure and charge-density analysis

M. Malinska, A. Kutner and K. Wozniak

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Charge density of lysozyme by the maximum entropy method

J. Netzel and S. van Smaalen

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Topological properties of gridded charge densities

P. S. Jagannatha, S. van Smaalen and L. Palatinus

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The transferability of atomic multipoles for amino acids and peptides

M. Woińska and P. M. Dominiak

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Polyhalogenated bipyridines: halogen interactions and building blocks

E. Aubert, V. Mamane, M. Abboud, Y. Fort and C. Lecomte

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Invariom refinement of two different modifications of thiostrepton

K. Pröpper and B. Dittrich

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Comparative charge-density study: Gemini versus SuperNova

H. Sparkes and A. Griffin

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High-brilliance home-lab X-ray sources: status and future

J. Wiesmann, C. Michaelsen, J. Graf and B. Hasse

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Peculiarities of X-ray multiwave diffraction in paratellurite crystals (TeO₂)

A. E. Blagov, M. V. Kovalchuk, V. G. Kon, P. A. Prosekov and Yu. V. Pisarevskij

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Probing gels as a media for the growth of co-crystals

D. Choquesillo-Lazarte and J. M. García Ruiz

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Cubic lipid phase and bicelle crystallization of membrane proteins

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Solvent-drop grinding as an alternative tool for preparation of cocrystals

M. Oracz, W. Maniukiewicz and M. Główka

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Dual polarization interferometry in macromolecular crystallisation diagnostics

E. Saridakis, A. Boudjemline, M. J. Swann, I. M. Mavridis and N. E. Chayen

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Optimization of the packing in the haloalkane dehalogenase crystal by seeding

Y. Sato, R. Natsume, M. Tsuda, Y. Nagata and T. Senda

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Oxygen vacancy contribution on the polarization-dependent DAFS of rutile TiO₂

M. Zschornak, C. Richter, D. Novikov, H. Stöcker, T. Leisegang, S. Gemming and D. C. Meyer

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Automated seeding for the optimization of crystal quality

N. Chayen, L. Haire and S. Khurshid

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Upside-down protein crystallization

N. Chayen and S. Khurshid

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Electronic carbon-nanotube-based materials for protein crystallization

N. E. Chayen, L. Govada, P. Asanithi, E. Saridakis, I. Jurewicz, E. W. Brunner, R. Ponnusamy, J. A. S. Cleaver, A. B. Dalton and R. P. Sear

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Attenuated total reflection-FT-IR spectroscopic imaging of protein crystallization

N. E. Chayen, L. Govada, K. L. A. Chan, R. M. Bill and S. G. Kazarian

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Experimental Minstrel HT UV: automated imaging of protein drops with UV fluorescence

M. Petersen, J. Xu and M. Willis

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Depth-resolved lattice-constant determination in bended samples using Cu, Mo and Ag Kα radiation

T. Holz, R. Dietsch and M. Krämer

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Beyond simple SAXS: beating ambiguousness by integration

P. Laggner, H. Amenitsch, M. Schmuck, B. Marmirolli, M. Weygand and M. Kriechbaum

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Low-energy electron diffraction structure analysis of the Al₁₃Co₄(100) surface

H. Shin, R. D. Diehl, K. Pussi, J. Ledieu, E. Gaudry and P. Gille

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Electric field-induced structure and resistance modifications in metal/SrTiO₃ junctions

H. Stöcker, J. Schulze, J. Seibt, F. Hanzig, M. Zschornak, S. Wintz, B. Abendroth, J. Kortus and D. C. Meyer

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An AFM study of the surface topography of anatase single crystals

A. Bürger, U. Magdans and H. Gies

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Neutron radiography study of the dehydration kinetics of smectites in moulding sands

G. Jordan, C. Eulenkamp and W. W. Schmahl

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Surface and embedded 2-dim structures: a direct-space approach to modelling

A. Kirfel and K. F. Fischer

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Dopant effect on surface electronic state of TiO₂ estimated by first principles calculation

D.-Y. Lee, S.-I. Cha and S.-H. Seo

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Evolution of formation of interblock boundaries in nanothin selenium crystals

V. Malkov, V. Strekalovsky, A. Malkov, O. Malkov and V. Puchin

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High-brilliance microfocus beam-delivery systems with scatterless collimation for SAXS

V. Roger, P. Panine, B. Lantz and P. Hoghoj

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Study on marble dust nanocomposites

E. H. Soylu, S. İde, S. Bayarı, E. Traşoğlu and H. Aksoy

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GISAXS analysis of the precipitates in GeMn thin layers

V. Vales, V. Holy and R. T. Lechner

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Influence of Si-doping on structure in InAs nanowires

M. von der Ahe, H. Hardtdegen, K. Sladek, A. Penz, F. Dorn, A. Heiss, T. Weirich and D. Grützmacher

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Combined X-ray micro-diffraction, radiography and tomography analysis of solid objects

D. Beckers, G. Blaj, H. Pöllmann, K. Bethke and R. Meier

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Development of a high-brilliance rotating-anode dual-wavelength X-ray generator and multilayer mirror for dual wavelength

A. Iwata, C. Wilson, A. Yamano and M. Maeyama

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How tiny is a small crystal today?

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On the peak shapes of X-ray micro diffraction

H. Wang and J. Zhou

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Simultaneous imaging of radiographic and crystallographic information

J. Bauch, D. Wünsche, F. Henschel and H.-J. Ullrich

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Automatic detection and analysis of conic X-ray diffraction lines

J. Bauch, F. Henschel and M. Schulze

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Pressure anisotropy on C60-graphite transformation seen by diffraction tomography

J.-L. Hodeau, M. Alvarez-Murga, P. Bleuet, M. Mezouar, R. Tucoulou, C. Lepoittevin, N. Boudet, J.-F. Berar and L. Marques

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Conditions for reception of X-ray monochromatic bunches of the maximum intensity in geometry Laue

V. V. Margaryan, K. T. Hayrapetyan and S. N. Noreyan

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Probing inclusions in diamonds with fine beams of synchrotron X-rays

M. Moore, R. Shaikhaidarov, V. Petrashov and F. Viljoen

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Hard X-ray diffraction scanning tomography with sub-micrometer spatial resolution

H. Palancher, R. Tucoulou, P. Bleuet, A. Bonnin and P. Cloetens

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Structure and magnetic properties of C-type doped rare earth oxides Er_2−xMn_xO₃ and Er_2−xNi_xO₃

Z. K. Heiba, M. B. Mohamed, M. A. Abdelslam and H. Fuess

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Mössbauer and neutron diffraction study of polycrystalline GaFeO₃

M. Bakr, K. Szymański, A. Senyshyn, G. Parzych, L. Dobrzynski and H. Fuess

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Magnetic and nuclear structure of orthorhombic and monoclinic polymorphs of CoGeO₃ pyroxene

G. Amthauer, G. J. Redhammer, A. Senyshyn, G. Tippelt, C. Pietzonka and G. Roth

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Magnetostructural and magnetocaloric properties of Ni_50−xCu_xMn₃₆Sn₁₄ by magnetic measurements and neutron diffraction experiments

I. Dincer, Y. Elerman, E. Yüzüak, M. Hölzel, A. Senyshyn, E. Duman and T. Krenke

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Structural, magnetic and magnetocaloric effect in the off-stoichimetric Gd₅Ge_2.05−xSi_1.95−xMn_2x alloys

Y. Elerman, E. Yüzüak and I. Dincer

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Opechowski-Guccione-like symbols of magnetic space groups

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Temperature-dependent neutron diffraction studies on iron pnictide single crystals

M. Meven, Y. Su and Y. Xiao

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Structural aspect of stabilization of magnetic particles in solution: SAXS study

E. Shtykova, P. Konarev, L. Bronstein and D. Svergun

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Structure-magnetism correlations in nc-NiO: high-sensitivity powder diffraction

M. Petrik and B. Harbrecht

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Crystallisation kinetics in sol-gel PbTiO₃ films by real-time XRD analysis

A.-C. Dippel, T. Schneller and R. Waser

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Application of a frame-store pnCCD in protein crystallography

S. Send, A. Abboud, U. Pietsch, W. Leitenberger, R. Hartmann and L. Strüder

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MoleCoolQt - a molecule viewer for charge-density related science

C. B. Hübschle

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Crystal structure analysis using integrated X-ray powder diffraction software suite PDXL

G. Schuck, A. Iwata, A. Sasaki, A. Himeda, H. Konaka and N. Muroyama

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POLYGON and other tools: model validation at a glance

A. Urzhumtsev, P. V. Afonine, L. Urzhumtseva and P. D. Adams

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Self-organizing crystal structure

M. Arumugam, G. Roth, H. Emmerich and S. Cottenier

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Advanced shape descriptors for identification of ligands in electron density

C. Carolan, G. Langer and V. Lamzin

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Crystallographic programming using Haskell, a functional language

J. Coome, M. R. Probert, A. E. Goeta and J. A. K. Howard

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RAPIDO - a web server for the rapid alignment of protein structures in the presence of domain motions

F. Dall'Antonia, R. Mosca and T. R. Schneider

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Software for maintaining and expanding the Crystallography Open Database

S. Gražulis, J. Butkus, R. Downs, M. Quirós Olozábal and A. Le Bail

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Algorithms for automated building of nucleic acid structures

T. Gruene and G. M. Sheldrick

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Standard reference materials for validation crystal software

B. Kodess, I. Kommel, S. Kononogov and D. Shabalin

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Protein structure alignment using efficient small-fragment clustering

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Fragment-based electron-density interpretation at low resolution

S.-Y. Ku and T. R. Schneider

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Validation of B-factor distributions in protein crystal structures

J. Negroni, G. Murshudov and T. R. Schneider

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A stepwise approach for the X-ray diffraction data in Rietveld refinement

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Multialiquot cell approach for the SDPD of high-symmetry compounds

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DDMSuite - a powder diffraction full-profile analysis system

Y. I. Yakimov, L. A. Solovyov, A. N. Zaloga and I. S. Yakimov

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On execution of Pawley method without requiring intensity constraints on overlapping reflections

R. Oishi-Tomiyasu, M. Yonemura, A. Hoshikawa, S. Torii, T. Ishigaki and T. Kamiyama

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Automated single-crystal structure determination - a tool for synthetic chemists?

B. Hinrichsen, M. Adam, M. Carr and D. Schollmeyer

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Recent developments in CrysAlisPro

O. Presly, A. Griffin and Z. Gal

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New developments in structure analysis of powders using preferred orientation

J. Grässlin, L. B. McCusker, C. Baerlocher, F. Gozzo, B. Schmitt and L. Lutterotti

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ICSD Web - one year and beyond

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DRAWxtl 5.5 - an open-source program for crystal structure drawings

M. Kroeker, B. H. Toby and L. W. Finger

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The crystal structure of d-ribose derived from powder diffraction data

D. Sisak, L. McCusker, C. Baerlocher and J. D. Dunitz

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Hans Hinterreiter's non-linear transformations

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Structure determination of flufenamic acid cocrystals from laboratory X-ray powder diffraction data

H. Konaka, Y. Namatame, A. Sasaki, T. Ueto and N. Takata

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A single instrument, two wavelengths and many applications

C. Wilson, M. Maeyama, K. Hasegawa, K. Aburaya and A. Yamano

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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.

Special issues

Mathematical Crystallography

Bragg centennial issue

Laue centennial issue

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