Acta Crystallographica Section A
Acta Crystallographica
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Volume 65| Part a1

ISSN: 2053-2733

August 2009 issue

Abstracts of the 25th European Crystallography Meeting

Istanbul, Turkey, 16-20 August 2009

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abstracts

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Human protein complexes involved in neurodevelopment

J. L. Susman and I. Silman

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Prenucleation clusters and crystallization control by additives

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Modern developments in inelastic X-ray scattering under extreme conditions of temperature and pressure

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High-pressure crystallography, weak interactions and electron density

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Modelling of biomaterials: molecular recognition at the surfaces of bioactive glasses

P. Ugliengo, M. Corno and A. Rimola

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Phase transitions in nano- and bulk-materials at elevated pressures and temperatures

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New MOF materials: structure-properties considerations

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Complementarity of magnetic neutron and X-ray scattering

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93 years after Debye and Scherrer: powder diffraction in the 21st century

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When flavins get the blues

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Crystallography of complex thermoelectrics

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Macromolecular electron crystallography

J. P. Abrahams, L. Jiang, I. Sikhuralidze, I. Nederloff, H. Zandbergen and D. Georgieva

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The structural bases of chromosome segregation

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Solid-state chemical reactions

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Bridging protein crystallography and chemistry: structural insight into the O-GlcNAc modification and the structure-inspired design of chemical probes

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Engineering co-crystals using molecular sense and supramolecular sensibility

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Celebrating crystallography

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The recognition of endocytic signal sequences by the AP2 complex

P. Evans, D. Owen, B. Kelly, A. McCoy and L. Jackson

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Structural basis for the regulated protease and chaperone function of DegP

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Functional architecture of RNA polymerase I

S. R. Geiger, C.-D. Kuhn, S. Baumli, M. Gartmann, J. Gerber, S. Jennebach, T. Mielke, H. Tschochner, R. Beckmann and P. Cramer

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Structure of human complement component 5

G. R. Andersen, N. Laursen, F. Fredslund and L. Sottrup-Jensen

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Crystal structure of human spliceosomal U1 snRNP at 5.5 Å resolution

D. A. P. Krummel, C. Oubridge, A. Leung, J. Li and K. Nagai

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Hemoglobin - then and now

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Archaeal protoglobin: novel ligand diffusion paths and heme reactivity

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Combined Raman and X-ray crystallography reveals multiple coordinations and quaternary states of fish hemoglobins

A. Vergara, L. Vitagliano, A. Merlino, F. Sica, C. Verde, G. di Prisco and L. Mazzarella

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Crystallization and preliminary X-ray analysis of V4-133 globin

A. Baharuddin, J. Saito, R. A. Rahim, C. Didierjean and M. Alam

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Molecular mechanisms of yeast cell wall glucan remodelling

D. M. F. van Aalten

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Light-driven repair of DNA damage by Drosophila (6-4)-photolyase

T. Barends, T. Domratcheva, M. Maul, M. Cryle, A. Glas, S. Schneider, T. Carell and I. Schlichting

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X-ray analyses of two evolutionarily different threonyl-tRNA synthetases which perform a function by supplementing their defects to each other in crenarchaea

S. Shimizu, Y. Sato, E. C. M. Juan, Y.-i. Miyashita, T. Sagara, K. Suzuki, M. Tsunoda, T. Sekiguchi, A.-C. Dock-Bregeon, D. Moras and A. Takenaka

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Crystallographic snapshots of iterative substrate translocations during nicotianamine synthesis in archaea

C. Dreyfus, D. Lemaire, D. Pignol and P. Arnoux

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Substrate recognition and catalysis of polysaccharide lyases

S. Larsen, M. McDonough, M. Thymark, M. H. Jensen, H. Otten, L. Lo Leggio, T. Borchert, L. H. Christensen, H. Frisner and C. Sonksen

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The structural and mechanistic basis of regulation of vesicular transport by Rab proteins

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The structural and mechanistic basis of allosteric modulation of myosin motor activity by pharmacological agents

G. Tsiavaliaris, R. Fedorov, M. Böhl, F. K. Hartmann, M. H. Taft, P. Baruch, B. Brenner, R. Martin, H.-J. Knölker, H. O. Gutzeit and D. J. Manstein

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Structure and functional study of human retinaldehyde-binding protein (CRALBP)

X. He, J. Lobsiger and A. Stocker

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Conserved binding mode of single-stranded DNA and RNA to cold-shock domains

U. Heinemann and K. E. A. Max

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Decoding the structural basis for the cis-regulatory logic of early developmental switches

R. Jauch, A. Hutchins, N. Baburajendran, K. Narasimhan, C. K. L. Ng and P. Kolatkar

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Structure and assembly of a bacterial type IV secretion core complex

R. Fronzes and G. Waksman

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Structure of the catalytic subunit of telomerase; a major target for cancer and aging therapies

A. Gillis, A. Schuller and E. Skordalakes

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Structural studies of Candida albicans pathogenicity factors: ALS adhesins family

P. S. Salgado, R. Yan, L. Hoyer and E. Cota

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Recognition and activation of the RTK Met by the bacterial invasion protein InlB

H. H. Niemann, D. Ferraris, E. Gherardi and D. W. Heinz

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Structure and assembly of a bacterial pilus with stabilizing isopeptide bonds

E. N. Baker, N. Paterson and H. Kang

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Structural basis of HIV-1 gp120 conformational mobility

P. D. Kwong, M. Pancera, S. Majeed, Y.-E.A. Ban, L. Chen, C. Huang, L. Kong, Y. Do Kwon, J. Stuckey, T. Zhou, J. E. Robinson, W. R. Schief, J. Sodroski and R. Wyatt

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Structural studies on bacterial type IIA topoisomerases - targets for quinolone and coumarin antibiotics

B. Bax, M. Hibbs, E. Jones, A. Theobald, A. Fosberry, C. Spitzfaden, A. Shillings, A. Wohlkonig, K. K. Koretke, J. Huang, N. Pearson and M. N. Gwynn

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Discovery and optimization of inibitors of hepatitis C virus: a structure-based approach

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Complexes of tubulin with inhibitors that bind to the colchicine domain

M. Knossow, A. Dorléans, R. Ravelli and B. Gigant

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Snapshot of translesion synthesis of a cisplatin 1,3-GTG intrastrand cross-link

S. Schneider, T. Reißner and T. Carell

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Improvement of drug virtual screen by GA/GP: docking studies on tubulin inhibitors as anticancer agents

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

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Structural genomics of bacterial membrane transport proteins

P. J. F. Henderson, S. Suzuki, P. Ma, M. Saidijam, K. E. Bettaney, G. Szakonyi, N. G. Rutherford, S. G. Patching, R. J. Hope, P. C. J. Roach, T. Shimamura, S. Yajima, E. P. Carpenter, S. Weyand, A. D. Cameron and S. Iwata

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Structural basis for ion conduction and gating in ligand-gated ion channels

R. J. C. Hilf and R. Dutzler

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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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Structure and molecular mechanism of a nucleobase-cation-symport-1 family transporter

S. Weyand, T. Shimamura, S. Yajima, S. Suzuki, O. Mirza, K. Krusong, E. P. Carpenter, N. G. Rutherford, J. M. Hadden, J. O'Reilly, P. Ma, M. Saidijam, S. G. Patching, R. J. Hope, H. T. Norbertczak and P. C. J. Roach

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Yeast aquaporin gating - a membrane protein at 1.15Å resolution

G. Fischer, U. Kosinska-Eriksson, M. Palmgren, K. Hedfalk, S. Hohmann, R. Neutze and K. Lindkvist-Petersson

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X-ray crystallographic studies of the pig renal Na⁺,K⁺-ATPase

T. L. M. Sorensen, J. P. Morth, B. P. Pedersen, H. Poulsen, M. S. Toustrup-Jensen, J. Pedersen, J. P. Andersen, B. Vilsen and P. Nissen

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Library-based construct screening for soluble protein expression: influenza polymerase as a case study

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Promoting crystallization by increasing and enhancing intermolecular interactions

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Production of recombinant viral proteins for structural and functional studies

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A crystallization platform enabling automated in situ diffraction screening

R. Bingel-Erlenmeyer, V. Olieric, M. Wang and C. Schulze-Briese

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Latest developments of in situ dynamic light scattering and imaging to analyze, score and optimize the crystallization process

A. Meyer, D. Hilterhaus, K. Dierks and C. Betzel

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New developments in model building with Buccaneer

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Phasing from unmerged data: exploiting the anisotropy of anomalous scattering

M. Schiltz and G. Bricogne

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Molecular replacement: a new probabilistic approach

C. Giacovazzo, R. Caliandro, B. Carrozzini, G. L. Cascarano, A. Mazzone and D. Siliqi

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Interpretation of very low resolution X-ray electron-density maps

P. Heuser, G. Langer and V. Lamzin

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A multivariate likelihood SIRAS function for phasing and model refinement

P. Skubak, G. N. Murshudov and N. S. Pannu

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X-ray absorption spectroscopy as tool to study enzyme action in real-time

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Protein dynamics probed by time-resolved X-ray scattering at the ESRF

M. Cammarata and M. Wulff

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A multi-spectral approach to understanding catalysis in Cu nitrite reductase

M. Hough, S. Antonyuk, R. Strange, R. Eady and S. Hasnain

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Tracking individual water molecules bound to proteins

H. Durchschlag and P. Zipper

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Structural studies of the WXG-100 proteins and the complementary analysis using FRET

Y.-H. Song, C. Poulsen and M. Wilmanns

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Structural insight into the motor protein A₁A₀ ATP synthase and implications in coupling events

G. Grüber, M. S. S. Manimekalai, A. Kumar, A. M. Balakrishna and S. Gayen

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Recycling PDB: automatic structure solution system BALBES

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

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Challenges in structure validation - going beyond the protein

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DEA: the combination of the DEDM-EDM procedure with automatic model-building packages to solve difficult protein phasing cases

D. Siliqi, R. Caliandro, B. Carrozzini, G. L. Cascarano, C. Giacovazzo and A. Mazzone

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APLx - automated protein-ligand crystallography workflow

R. Pieritz, L. Leonard and S. McSweeney

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Proteopedia: scientific wiki bridging 3D structure-function

J. L. Sussman, E. Hodis, I. Silman, J. Moult, E. Martz and J. Prilusky

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Crystallographic studies of the nuclear pore

I. Vetter, N. Schrader, P. Stelter, E. Hurt and A. Wittinghofer

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The human Cdc37-Hsp90 complex studied by heteronuclear NMR spectroscopy

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How a Y-family polymerase can produce mutations from a benzo[a]pyrene DNA lesion

J. Bauer, G. Xing, H. Yagi, J. M. Sayer, D. M. Jerina and H. Ling

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Structural insights into the catabolism of fatty acids in plants

V. E. Pye, S. Arent, C. E. Christiansen and A. Henriksen

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Structural insight into the quinolone-DNA cleavage complex of topoisomerase IV from Streptococcus pneumoniae

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

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Elucidation of the phosphate binding mode of DING proteins revealed by sub-ångstrom X-ray crystallography

D. Liebschner, M. Elias, S. Moniot, B. Fournier, K. Scott, B. Guillot and C. Lecomte

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Ultra-high resolution protein structures - Himalayas of protein crystallography

Z. Dauter and M. Dauter

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Protonation state determination in proteins using high-resolution protein X-ray crystallography: effects of resolution and completeness

S. J. Fisher, M. Blakeley, S. McSweeney and J. R. Helliwell

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X-ray and neutron structure analyses of proton-transfer catalysis by endoPG I

M. Sato, T. Shimizu, T. Nakatsu, K. Miyairi, T. Okuno and H. Kato

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Preliminary deformation-density study of cyanobacterial cytochrome c₆

M. Kubicki, S. Krzywda, M. Jaskólski, W. Białek, A. Szczepaniak and Z. Dauter

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Novel 2:1 layers formed by dehydroxylating (Fe³⁺,Mg)-rich dioctadedral mica

T. Kogure and V. A. Drits

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When the minerals become complex: the case of the pearceite-polybasite mineral solid electrolytes

L. Bindi, M. Evain and S. Menchetti

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Cation-cation interaction (CCIs) in novel layered and framework uranyl compounds

E. V. Alekseev, S. V. Krivovichev and W. Depmeier

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The tobermorite-like layer in non-tobermorite minerals

E. Bonaccorsi and S. Merlino

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Byzantievite, the first silicate-borate-phosphate mineral

E. Sokolova, L. Pautov, A. Agakhanov and F. Hawthorne

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A few applications of the superspace approach in mineralogy

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Cr_xRe_1−xO₂ oxides with different rutile-like structures: changes in the electronic configuration and resulting physical properties

D. Mikhailova, H. Ehrenberg, D. Trots, S. Oswald and H. Fuess

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The crystal chemical role of Fe-Mn substitution in the epidote family

A. Katerinopoulou, T. Balic-Zunic, J. Kolb and K. Secher

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The crystal structure of M1M2₂(XO₄)₂(O,OH)₂ compounds and topological relations

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Charge and orbital ordering in layered perovskites

M. Braden, O. J. Schumann, M. Cwik, M. Kosmala, M. T. Fernandez-Diaz, M. Meven and A. Cousson

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Novel Li vacancy ordered structure of stage-2 Li_0.38BC phase

B. Kalkan and E. Ozdas

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Be smart: let minerals inspire you to find exciting materials

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Rhodesite-type structure: a source of microporous materials

G. Ferraris and M. Cadoni

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Crystalline textures in silica-carbonates biomorphs

J. M. García-Ruiz

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Electronic and magnetic structure of pyroxenes I: hedenbergite, CaFeSi₂O₆

M. Grodzicki, G. Redhammer, M. Reissner, W. Steiner and G. Amthauer

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Structural characterization of Maya Blue analogous hybrid pigments

C. Dejoie, P. Martinetto, E. Dooryhée, D. Bhange, C. Lepoittevin and M. Anne

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X-ray techniques applied to art authentication and conservation

D. P. Benedetti, E. Bontempi and L. E. Depero

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The hoard of Becin - the silver content of the Akce coins and the monetary history in the Ottoman Empire

M. Schreiner and M. Rodrigues

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Crystallography and industrial design: past, present and future

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Multi-grids method construction of Moroccan geometric patterns

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

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The Javanese colleagues of Karagöz and their dress

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Ab initio simulations of lattice stability: an effect of external conditions

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Resonant X-ray diffraction distinguishes inequivalent iron atoms in Fe₃BO₆

V. E. Dmitrienko, G. Beutier, E. N. Ovchinnikova, S. P. Collins, J. E. Lorenzo, J.-L. Hodeau, A. Kirfel, Y. Joly, A. A. Antonenko, V. A. Sarkisyan and A. Bombardi

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Pressure-induced phase separation in high-T_c superconductors

M. Calamiotou, A. Gantis, D. Lampakis, E. Siranidi, K. Conder, I. Margiolaki and E. Liarokapis

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Twinning and pseudosymmetry in ferroic materials at high pressures

K. Friese and A. Grzechnik

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Magnetoresistance and magnetocaloric properties of Ni_50−xCu_xMn₃₆Sn₁₄

I. Dincer and Y. Elerman

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Symmetry studies of ferroic structures with the Bilbao Crystallographic Server

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

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Compositional heterogeneities in relaxor ferroelectric oxides

K. Z. Baba-Kishi

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Beyond the Landau theory: unusual phase transitions in some R_aSb_bX_(3b+a) salts (where R: organic cation; M: Sb, Br; X: Br, Cl)

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

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In situ transmission electron microscopy experiments on ferroelectric materials under electrical field

J. Kling, L. Schmitt, H.-J. Kleebe, M. Hinterstein and H. Fuess

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Magnetic and crystal structures of the magnetoelectric pyroxene LiCrSi₂O₆

G. Nénert, M. Isobe, C. Ritter, O. Isnard, A. N. Vasiliev and Y. Ueda

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Shape reconstruction of nanoparticles under reaction conditions

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The influence of interfaces on the properties of magnetic nanoelements and wires

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The structure and magnetism of Fe/Mo(001) surface: a pseudopotential calculation

A. A. Ramanathan, J. M. Khalifeh and B. A. Hamad

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GISAXS-based optimization of La/B₄C multilayer mirrors for soft X-ray FEL

M. Jergel, P. Siffalovic, E. Majkova, L. Chitu, S. Luby, K. Vegso, S. Hendel, M. Lass, M. D. Sacher, W. Hachmann, U. Heinzmann, A. Timmann and S. V. Roth

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Structure of the surface oxides grown on the icosahedral Al-Pd-Mn quasicrystal

M. Erbudak and S. Burkardt

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Rare earth calcium oxoborate family, Ca₄REO(BO₃)₃ (RE = Gd, Y, Sc, Lu, Nd, Yb): a real challenge to design nonlinear crystals for frequency conversion in visible and UV range

G. Aka and P. Loiseau

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New nonlinear-laser potential of diamond, a-quartz, fluorite, and calcite

A. A. Kaminskii

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Salts of guanidine derivatives - new materials for non-linear optics

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

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Surface and interface study of vanadium oxide nano films

R. M. Oksuzoglu

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Strain imaging at the nanoscale with coherent X-ray diffraction

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Monochrome and colour X-ray diffraction imaging

S. D. M. Jacques

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Towards imaging of topological defects by coherent X-ray diffraction

V. Jacques, D. Le Bolloc'h and S. Ravy

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Imaging diamonds with X-rays

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Coherent X-ray diffraction imaging of antiphase domains and biological tissues with ptychography

F. Berenguer, R. Bean, C. McCallion, F. Zhang, K. Wallace, L. Bozec and I. K. Robinson

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Resonant soft X-ray diffraction as a probe for complex magnetic structures

C. Schuessler-Langeheine

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The nature of magnetic coupling in the martensitic and austenitic structures in magnetic shape-memory alloys studied by neutron polarization analysis

M. Acet, S. Aksoy, E. F. Wassermann, L. Mañosa, A. Planes and P. P. Deen

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Orbital contribution to the magnetic moment in Co₂SiO₄

A. Sazonov, V. Hutanu, M. Meven and G. Heger

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Structural, magnetic and electric properties of GaFe_1−xMn_xO₃

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

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Neutron diffraction study of DyVO₃ and HoVO₃

M. Reehuis, C. Ulrich, J. Fujioka, S. Miyasaka, Y. Tokura and B. Keimer

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Electron microscopy techniques for the detailed study of fuel cell electrodes and components

C. Roth, F. Scheiba, U. Kunz, N. Benker and H. Fuess

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Transmission electron microscopy of electronic ceramics

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Transmission electron microscopy of BNT-BTKNN

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

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Exaggerated grain growth triggered by intrinsic defects; a TEM study

S. Lauterbach and H.-J. Kleebe

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Investigation of precipitation of β-Cr₂N in duplex stainless steel SAF 3207HD using transmission electron microscopy (TEM)

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Visualization of cells and cell organelles using coherent X-ray diffraction

Y. Nishino, K. Maeshima, N. Imamoto, R. Hirohata, E. Matsubara, Y. Takahashi, J. Miao and T. Ishikawa

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A reconstruction algorithm for single-particle diffraction imaging experiments

D.N.-T. Loh and V. Elser

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Lensless imaging of biological samples with soft X-rays

A. Rosenhahn, R. Barth, F. Staier, T. Gorniak, C. Christoffis and M. Grunze

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Highly sensitive quantitative biological imaging by scanning X-ray diffraction microscopy

K. Giewekemeyer, S. Kalbfleisch, A. Beerlink, C. Kewish, P. Thibault, F. Pfeiffer and T. Salditt

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Resolution-dependent scaling, minor disorder, parameter correlations: possible pitfalls for experimental charge densities

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Getting the most from image-plate data

V. V. Zhurov, E. A. Zhurova and A. A. Pinkerton

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A copper(II)-copper(II) bond in a dimeric molecule of a mineral

F. Bertolotti, A. Forni, G. Gervasio and D. Marabello

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Assessment of electron-density refinement quality using free-R factors and restraints

C. Jelsch, S. Domagala, B. Zarychta, C. Lecomte, B. Guillot and P. Munshi

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Generalization of the experimental multipolar pseudo-atom library

S. Domagała, B. Zarychta, B. Guillot, V. Pichon-Pesme, C. Lecomte and C. Jelsch

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Structure of microsomal prostaglandin E synthase 1 as determined by electron crystallography

H. Hebert, C. Jegerschöld, P. Purhonen, P. Bhakat, K. Gheorghe, N. Gyobu, K. Mitsuoka, S. Pawelzik, P.-J. Jakobsson and R. Morgenstern

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Oxide surfaces

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Structure determination of complex oxides

J. Hadermann, A. M. Abakumov and H. D'Hondt

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Ab initio solution of LiTi_1.5Ni_0.5O₄ by precession electron diffraction

H. Klein, M. Gemmi and A. Rageau

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Automated diffraction tomography - a new tool to access structures from nano crystals

U. Kolb, E. Mugnaioli and T. Gorelik

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Opportunities for observing functional materials in operation using time-/space-resolved diffraction

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Kinetics of solid-state reactions/transitions investigated by real-time neutron spectroscopy

K. Hradil, J. Leist, F. Güthoff, H. Gibhardt and G. Eckold

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Time-resolved binding of K₂PtBr₆ to lysozyme by protein powder and single-crystal X-ray

J. R. Helliwell, T. A. Bell, P. Bryant, S. Fisher, G. J. Habash, M. Helliwell, R. I. Margiolaki, K. Surasak, Y. Watier, J. Wright and S. Yalamanchilli

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X-ray diffraction study of piezoelectric crystal response on the nanosecond time scale

O. Schmidt, S. Gorfman, P. Becker, L. Bohatý and U. Pietsch

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In situ study of time and thickness dependence of crystallization of amorphous TiO₂ thin films and powders

L. Nichtová, R. Kužel and Z. Matěj

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Structural hidden degrees of freedom in aperiodic materials

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On the structures of the dense alkali metals

E. Gregoryanz, C. Guillaume, L. L. Lundegaard, O. Degtyareva, M. McMahon, S. Sinogeikin and M. Guthrie

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On the application of the fibre bundle approach to the description of the symmetry of magnetic structures and other aperiodic structures

J. Warczewski, P. Gusin, T. Śliwińska and J. Krok-Kowalski

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Giant unit-cell structures in the system Al-Cu-Ta

T. Weber, J. Dshemuchadse, M. Conrad, B. Harbrecht and W. Steurer

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K₄CoMo₃O₁₂ at low temperatures: phase transitions and modulated structures

J. M. Engel and H. Ehrenberg

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Bernauer's bands

B. Kahr, E. Gunn and J. Freudenthal

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Supramolecular organic conductors tailored by strong and directional iodine bonds

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Fullerene fragments-based molecular materials: predicting properties from solid-state packing

M. A. Petrukhina and A. S. Filatov

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Synthesis procedure versus temperature in cobalt molecular magnetic materials

C. Ruiz-Pérez, O. Fabelo, J. Pasán, L. Cañadillas-Delgado, M. Déniz, A. B. Lago, P. Díaz-Gallifa, C. Martínez, F. Lloret and M. Julve

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Size and shape design in functional metallorganic wheel-and-axle systems

A. Bacchi, M. Carcelli, P. Pelagatti and T. Chiodo

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Complexation of camphor by α-cyclodextrin

J. Lipkowski and A. Bielejewska

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Structure-property relationships of two host-guest systems

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Molecular shape and polarity relationships for cocrystal screening

L. Fábián, T. Friščić, S. Karki and W. Jones

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Diffuse scattering from layered organic materials

L. H. Thomas, G. A. Craig, D. S. Middlemiss and C. C. Wilson

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Metal-organic materials: strategies toward functional porous materials

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Interpreting competition experiments in host-guest chemistry

L. R. Nassimbeni

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Designer porphyrin assemblies

I. Goldberg, S. Lipstman and S. Muniappan

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Self-assembly of amphiphilic calixarenes: crystal structure of an inverted micelle

K. Suwinska, B. Lesniewska, S. Jebors and A. W. Coleman

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Head-to-tail hydrogen-bonded chains in the crystal structures of dipeptides - a comprehensive survey

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Photocrystallography: time-resolved studies on coordination complexes

P. R. Raithby, S. K. Brayshaw, S. Schiffers, J. E. Warren, M. R. Warren and S. J. Teat

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Structure and reactivity of derivatives of the Mo(allyl)(CO)₂ fragment

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Monitoring structural changes in crystals during physical and chemical processes

J. Bąkowicz and I. Turowska-Tyrk

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Combining X-ray diffraction and spectroscopy to study (photo)dynamic processes

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Structural similarity and reoccurring hydrogen bonding patterns in acylanilides

S. Huth, M. Hursthouse and T. Threlfall

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Structure and reactivity in homogeneous catalyst model systems

S. Otto and P. N. Bungu

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Metals and DNA: crystallography as an essential tool in bioinorganic chemistry

B. Spingler, P. M. Antoni and A. Medina-Molner

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A new stable monomeric lead(II) complex Pb(SCH₂CH₂NMe₂)₂: structure and dynamic behaviour in solid state

V. N. Khrustalev, R. R. Aysin, I. V. Glukhov, I. V. Borisova, L. A. Leites and N. N. Zemlyansky

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Giant bismuth oxo-core diketonate clusters

E. V. Dikarev and H. Zhang

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Bond-valence analysis in lanthanide complexes with planar tridentate ligand

L. Guénée and C. Piguet

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A robust supramolecular synthon: effect on melting points and Wallach's rule

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Employing intermolecular interactions in metallacarboranes to overcome exo polyhedral and polyhedral disorder

G. M. Rosair, D. Ellis and A. J. Welch

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Intermolecular interactions and nano-segregation in the modulation of liquid crystalline properties of molecular materials

A. Crispini, D. Pucci, I. Aiello, A. Bellusci and M. Ghedini

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Structural properties of hybrid compounds based on aniline derivatives

N. Benali-Cherif

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Weak intermolecular interactions of fluorinated benzenes and pyridines

V. Vasylyeva and K. Merz

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Porous metal-organic frameworks: from synthesis to applications

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MOFs prepared by solvent-free grinding reactions

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Guest packing in channel coordination polymers

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

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Alkali metal complexes with diphenylacetic acid

M. R. Silva, S. R. Domingos, A. M. Beja, J. A. Paixão and J. Martín-Gil

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Powder diffraction structural studies at ambient and non-ambient conditions on porous coordination polymers

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The trouble with hydrates - a pharmaceutical industry perspective

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New strategies in EXPO2009: applications to pharmaceutical compounds

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

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Multicomponent crystals in the development of new solid forms of pharmaceuticals

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Modeling single-crystal diffuse scattering on polymorphs of the drug benzocaine

E. J. Chan, T. R. Welberry, A. P. Heerdegen and D. J. Goossens

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Structure and spectroscopy of potential drugs for photodynamic therapy

T. V. Timofeeva, T. L. Kinnibrugh, K. W. Short, M. V. Makarov, I. L. Odinets and M. Yu. Antipin

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Towards knowledge-based design of pharmaceutical crystal forms

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Chemical semantic web concepts, ontology, software, database for 2D and 3D structures from resources such as the Protein Data Bank, PubChem and HIVSDB

T. N. Bhat, A.-D. Nguyen, G. Noble, L. Cooney, M. Nasr, A. Wlodawer, K. Das and E. Arnold

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Identification of crystalline phases of cements using X-ray microdiffraction techniques

D. Popov, R. Daehn, D. Grolimund, P. Pattison and E. Wieland

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Biphenyls in crystals: conformations and intermolecular contacts

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Predicting solvent inclusion in molecular crystal structures

G. Day and A. Cruz-Cabeza

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Using energy landscapes to determine crystal structures from low-quality experimental data

J. van de Streek and M. A. Neumann

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The computational prediction of spontaneous resolution

E. D'Oria and P. G. Karamertzanis

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Ab initio prediction of H-bond energies and/or geometries

P. Gilli, V. Bertolasi and G. Gilli

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Electron diffraction, X-ray powder diffraction, lattice energy minimisation, and pair distribution function analysis to determine the crystal structures of Pigment Yellow 213, C₂₃H₂₁O₉N₅

M. U. Schmidt, S. Brühne, A. Rech, J. Brüning, E. Alig, L. Fink, C. Buchsbaum, A. Wolf, J. Glinnemann, J. van de Streek, F. Gozzo, M. Brunelli, F. Stowasser, T. Gorelik and U. Kolb

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The application of novel modelling and refinement strategies to crystallography

M. Sadki and D. J. Watkin

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Mining old programs to build better ones

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Comparison of different approaches for automatic structure solution

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Intensity statistics of Friedel opposites and classification of reflections

U. Shmueli and H. D. Flack

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What is the cause of ghost peaks close to heavy atoms?

R. Herbst-Irmer, J. Henn, D. Kratzert, D. Stern and D. Stalke

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Resolution bias correction in EXPO2009

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

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New frontiers in powder diffraction pattern indexing: the program N-TREOR09

A. Moliterni, A. Altomare, G. Campi, C. Cuocci, L. Eriksson, C. Giacovazzo, R. Rizzi and P.-E. Werner

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Average and local structure of Laves phase deuterides YFe₂D_x

J. Ropka, R. Černý, V. Paul-Boncour, M. Latroche and T. Proffen

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Structural investigations of LnBO₃ (Ln = Y, La, Nd, Sm, Eu, Gd, Dy, Ho, Er, Yb, Lu) by Rietveld method

S. Seyyidoglu, K. Hoffmann, B. Albert and A. Yılmaz

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Metal and chemical hydrides: highlights and pitfalls of powder diffraction

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Solving complex structures by combining precession electron diffraction and X-ray powder diffraction techniques

D. Xie, C. Baerlocher and L. B. McCusker

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MAD techniques applied to the structure solution from powder data: a new probabilistic approach

M. C. Burla, A. Altomare, C. Cuocci, C. Giacovazzo, F. Gozzo, A. Moliterni, G. Polidori and R. Rizzi

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The indicator reflexes and influences of various factors on their intensity

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Powder neutron diffraction of hydrogenous materials - what is possible today?

M. Schmidtmann, C. C. Wilson, V. P. Ting, M. T. Weller and P. F. Henry

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Crystal structure and phase transitions of Gd(CO₃)OH studied by synchrotron PXRD

H.-S. Sheu, W.-J. Shih, W.-T. Chuang, I-F. Li and C.-S. Yeh

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A facility-wide solution to remote experimentation and automation

A. Ashton, M. Basham, P. Chang, J. Diepstraten, K. Levik, D. Sneddon, G. Winter and R. Woolliscroft

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Remote access: the virtual scientific instrument and the web

P. Turner, D. du Boulay, S. Brockhauser and R. Quilici

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Auto-Rickshaw: a tool for online validation of X-ray diffraction experiment

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

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Automation and remote access on the ESRF's macromolecular crystallography beamlines

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Remote synchrotron data collection and structure determination pipeline

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XAFS study of actinides in natural minerals analogues of ceramics for nuclear waste

M. Harfouche and F. Farges

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Efforts for structural biology of membrane proteins in a SESAME member country

M. Rahman, H. R. Hoorani, M. J. McPherson, S. A. Baldwin and S. Hasnain

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Use of modified metallothioneins for biosensor application

F. Yeşilirmak and Z. Sayers

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Aspects of crystallinity of high-grade quartz ores using X-ray diffraction and infrared spectroscopy diagnostic their chemical reactivity

M. S. Hassan, T. R. Boulos and A. Adam

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Protein crystallography: counter-diffusion crystallization method and its potential for room-temperature data collection

M. Aslantas, E. Kendi, V. Stojanoff and T. Büyükdemirkıran

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SAXS combined with crystallography and computation: defining accurate dynamic macromolecular assemblies in solution

M. Hammel, G. Hura and J. Tainer

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Coexisting lipid domains

G. Pabst, B. Boulgaropoulos, B. R. Sarangi, P. Laggner and V. A. Raghunathan

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Laboratory SWAXS for applications in pharmaceutical technology

A. Hodzic, M. Kriechbaum and P. Laggner

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GISAXS for single-crystal-like silicate films formed at the air-water interface

U-S. Jeng, Y.-H. Lai, J.-W. Chang, Y.-J. Chen, H.-W. Cheng, W.-T. Hsu, C.-C. Weng, C.-J. Su, C.-H. Su and K.-F. Liao

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New bio-SAXS beamline ID14-3 at the ESRF

P. Pernot and A. Round

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Pressure-induced structural changes in nanosized materials studied with on-line Brillouin spectroscopy and XRD

V. B. Prakapenka, I. Kantor, A. Kantor, S. Sinogeikin, M. L. Rivers and S. R. Sutton

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High-pressure studies of transition metal compounds located near the insulator-metal borderline

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Pressure-induced crystallographic transitions related to electronic/magnetic phenomena in iron(II,III) compounds

G. Kh. Rozenberg, M. P. Pasternak, W. M. Xu, A. Kurnosov, L. S. Dubrovinsky, S. Pascarelli, M. Munoz, M. Vaccari and M. Hanfland

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Total X-ray scattering studies of nanocrystalline and amorphous organic and inorganic compounds

D. Beckers, M. Gateshki and J. te Nijenhuis

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TEM characterization of axial CdTe/ZnTe nanowires and simulation of growth by finite element method

H. Kirmse, W. Neumann, P. Dłużewski, S. Kret, T. Wojtowicz and D. Klimm

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X-ray absorption spectroscopy: a powerful tool to probe the Zr shift towards the centrosymmetric position in PZT (PbZr_0.52Ti_0.48O₃) under high pressure and high temperature

C. Levelut, J. Rouquette, A. Al Zein, G. Fraysse, J. Haines, P. Papet, G. Aquilanti and Y. Joly

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High-pressure studies of small-molecule systems

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Incommensurate structures in elements at megabar pressures

O. Degtyareva and E. Gregoryanz

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Probing strong and weak interactions in Mg(BH₄)₂ and NH₃BH₃ by diffraction under high pressure

Y. Filinchuk, D. Chernyshov, V. Dmitriev and A. Nevidomskyy

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High-pressure anelastic behaviour of Fe_xO

L. Dubrovinsky, A. Kantor, I. Kantor, M. Krisch and A. Bossak

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Pressure-induced homothetic volume collapse in Si and Ge clathrates

A. San Miguel, D. Machon, J.-C. Blancon, C. Bousige, S. Le Floch, R. Débord, V. Pischedda and P. Toulemonde

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Crystal structure of a bifunctional heterotetrameric terpene synthase: functional switch via protein-protein interaction

T.-H. Chang, F.-L. Hsieh, T.-P. Ko, R.-T. Guo, P.-H. Liang and A.H.-J. Wang

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Crystal structure of a replicative helicase DnaC and its complex with ssDNA.

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Structures and substrate transfer mechanisms of eukaryotic fatty acid synthases

T. Maier, M. Leibundgut, S. Jenni and N. Ban

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Putting an N-terminal end to the Clostridium thermocellum xylanase Xyn10B story: structure of the CBM22-1-GH10 modules complexed with xylohexaose

S. Najmudin, B. A. Pinheiro, J. A. M. Prates, M. J. Romão and C. M. G. A. Fontes

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Crystal structures of complexes of the IgG1 Fc fragment with peptidomimic ligands

A. Bujacz, I. Redzynia and G. Bujacz

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The chemical basis of the colour of lobster shell; structures of carotenoids

M. Helliwell, G. Bartalucci, S. Fisher, J. R. Helliwell, S. Liaaen-Jensen, J. E. Warren and J. Wilkinson

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Structural investigations of the proteolytic complexes triggering the complement system

C. Gaboriaud, N. Thielens and G. Arlaud

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ββα-Me restriction endonuclease Hpy99I in complex with target DNA

H. Czapinska, M. Sokolowska and M. Bochtler

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Structural basis for Rab-effector specificity

A. R. Khan, R. Recacha and N. Jagoe

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Primaquine and chloroquine as inhibitors for human quinone reductase 2 enzyme

M. M. AbuKhader

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A structural basis for the pH-dependant xanthophyll cycle

P. Arnoux, T. Morosinotto, G. Saga, R. Bassi and D. Pignol

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The structure of DapD from Mycobacterium tuberculosis

L. Schuldt, S. Weyand, G. Kefala and M. S. Weiss

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Structural and mechanistic properties of grape leucoanthocyanidin reductase

C. Maugé, T. Granier, J. Chaudière, M. Gargouri, B. Langlois d'Estaintot, C. Manigand and B. Gallois

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Crystallization and X-ray analysis of MKK4 kinase domain

K. Hamada, T. Kinoshita, T. Matsumoto, Y. Nakamura, Y. Kirii, K. Yokota and T. Tada

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Structural basis for natural lactonase and promiscuous phosphotriesterase activities

M. Elias, L. Merone, C. Lecomte, M. Rossi, P. Masson, G. Manco and E. Chabriere

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Getting what you screen for but not quite

J. Cutfield, S. Cutfield, I. Lamont and Y. Nakatani

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Coupling of endonuclease and translocase functions in EcoR124I

T. Baikova, M. Lapkouski, I. Shevelev, P. Janscak, I. Kuta-Smatanova, J. Carey, M. Weiserova, R. Ettrich and E. Csefalvay

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A hexameric acylaminoacyl peptidase: substrate selectivity and stabilization

V. Harmat, E. Tichy-Rács, B. Hornung, A. L. Kiss, K. Rádi, G. Náray-Szabó and L. Polgár

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Structural studies of mycocypins, a new family of cysteine protease inhibitors

M. Renko, J. Sabotič, J. Brzin and D. Turk

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Structural analysis of a novel type of haloalkane dehalogenase DbeA and mutant DbeA1

T. Prudnikova, P. Rezacova, T. Mozga, J. Damborsky, M. Kuty and I. Kuta-Smatanova

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1,3-Propanediol dehydrogenase from Klebsiella pneumoniae: decameric quaternary structure and possible subunit cooperativity

M. A. Carrondo, D. Marçal, A. T. Rêgo and F. J. Enguita

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Crystal structure of shikimate dehydrogenase from Helicobacter pylori

W.-C. Cheng, S.-C. Lin, H.-J. Wang, J.-M. Yang, J.-Y. Lin and W.-C. Wang

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Crystallization of bifunctional catalase-phenol oxidase (CATPO) from Scytalidium thermophilum

Y. Yuzugullu, C. Trinh, A. R. Pearson, M. A. Smith, S. Phillips, U. Bakır, M. J. McPherson and Z. B. Ogel

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Structural studies of RNases H and their complexes with RNA/DNA hybrids

M. Nowotny, S. Gaidamakov, R. J. Crouch and W. Yang

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The Structure of Ce-FAR-7 from C. elegans indicates how this family of nematode fatty acid and retinoid binding proteins bind their cargo

R. Jordanova, M. R. Groves, E. Kostova, C. Woltersdorf, E. Liebau and P. A. Tucker

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Structural and functional analysis of PhnP from carbon-phosphorous lyase pathway

K. Podzelinska, S.-M. He, M. Wathier, A. Yakunin, M. Proudfoot, B. Hove-Jensen, D. L. Zechel and Z. Jia

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Crystal structure of the full-length sorbitol operon regulator SorC from Klebsiella pneumoniae: structural evidence for a novel transcriptional regulation mechanism

D. de Sanctis, C. E. McVey, F. J. Enguita and M. A. Carrondo

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Crystallographic analysis of the PAS domain of RsbP, a stress-response phosphatase in Bacillus subtilis

M. Makino and T. Kumasaka

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Structure of a secondary vitamin D₃ binding site of milk β-lactoglobulin for vitamin D transport

C.-J. Chen, M.-C. Yang, H.-H. Guan, J.-M. Yang, W.-L. Chen and S. J. T. Mao

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The alkanesulfonate-binding protein from Xanthomonas axonopodis pv. citri

A. Balan, F. Araújo, M. Sanches, L. C. S. Ferreira, A. Chiuli, V. M. Bolanos-Garcia, D. Y. Chigardze, T. L. Blundell and J. A. G. Barbosa

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The mutation D59A affects molybdate binding properties in the Xac ModA protein

C. Santacruz-Perez, V. R. Pegos, A. Balan and J. A. R. G. Barbosa

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Molecular basis of D-bifunctional protein deficiency

M. Malin, L. Pietikäinen, K. Hiltunen and T. Glumoff

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Domains of coronaviral Nsp3: important players in the molecular battle between virus and host cell

R. Hilgenfeld, Y. Kusov, C. L. Schmidt, Y. Piotrowski and J. Tan

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Structural bases for the selection of a public TCR against the HCMV NLV epitope

J.-B. Reiser, S. Gras, X. Saulquin, E. Debeaupuis, K. Echasserieau, A. Kissenpfennig, F. Legoux, A. Chouquet, M. Le Gorrec, P. Machillot, B. Neveu, N. Thielens, B. Malissen, M. Bonneville and D. Housset

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The SARS-unique domain of SARS-CoV contains two macrodomains that bind G-quadruplexes

J. Tan, C. Vonrhein, O. S. Smart, G. Bricogne, M. Bollati, Y. Kusov, G. Hansen, J. R. Mesters, C. L. Schmidt and R. Hilgenfeld

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Autoinhibition and activation of the autolysin Auto from Listeria monocytogenes

L. Polle, M. Bublitz and W.-D. Schubert

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Structure of a chicken MHC class I molecule with a peptide-devoid binding groove

C. S. Hee, S. Gao, R. Misselwitz, M. M. Miller, R. M. Goto, A. Ziegler, O. Daumke and B. Uchanska-Ziegler

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Structural characterization of the Shigella flexneri autotransporter VirG

K. Kühnel and D. Diezmann

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Complexes of cysteine proteases with chagasin

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

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Tandem beta-zippers in host-pathogen interactions

J. Potts, R. J. Bingham, K. Atkin, G. Harris and N. C. Norris

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The binding of pyrimidinyl phosphonucleotide inhibitors to bovine seminal ribonuclease

D. D. Leonidas, K. Dossi, J. Hayes, V. Tsirkone, J. Matoušek, P. Poučková, J. Souček, M. Zadinova and S. E. Zographos

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Crystal structure of the Taz2 domain of p300 transcriptional coactivator

M. Miller and Z. Dauter

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Human MST3 in complex with Mn-ADP: molecular switch by autophosphorylation

T.-P. Ko, W.-Y. Jeng, M.-D. Lai and A.H.-J. Wang

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Is it possible to guess potential drug activity from its crystal structure?

A. Skórska-Stania, M. Śliwa, B. J. Oleksyn, K. Musilek, K. Kuca, J. Jampilek, R. Musiol and J. Dohnal

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Structural studies of the acetylcholine binding protein in complex with novel compounds

L. A. H. Thomsen, T. Bale, M. L. Jensen, P. K. Ahring, J. S. Kastrup and M. Gajhede

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How to design aurora kinase A selective inhibitors

M. Kosmopoulou, A. Faisal, C. Sun, V. Bavetsias, B. Atrash, N. Bouloc, M. Matteucci, J. Blagg, S. Linardopoulos and R. Bayliss

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Crystal structures of actinohivin, an anti-HIV protein from an actinomycete, and its complex with mannobiose

M. Tsunoda, K. Suzuki, S. Tsubasa, A. Takahashi, J. Inokoshi, S. Omura, T. Sekiguchi, H. Tanaka and A. Takenaka

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Conformational change of adenosine deaminase during ligand-exchange in crystal state

T. Kinoshita, T. Tada and I. Nakanishi

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The structure of the Ca²⁺-ATPase bound to cyclopiazonic acid reveals a complexed divalent ion

J. P. Morth, M. Laursen, M. Bublitz, K. Moncoq, C. Olesen, J. V. Moeller, H. S. Young and P. Nissen

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An approach for producing a CK2alpha inhibitor using X-ray, calculation and ITC

Y. Sekiguchi, H. Fukada, T. Nakaniwa, T. Kinoshita, S. Nakamura, I. Nakanishi, K. Kitaura, H. Ohno, Y. Suzuki, A. Hirasawa, G. Tsujimoto and T. Tada

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Structural characterization of human glutathionetransferase A1-1 in complex with the anti-cancer drug chlorambucil

L. Chiniadis, K. Bethanis, N. Labrou, I. Axarli, K. Skopelitou and M. Karpusas

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Targeting telomeric RNA quadruplexes

G. Collie, S. Neidle and G. Parkinson

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Crystal structure of two biologically active biphenyl derivatives

N. Naguib, I. Farag, Z. K. Heiba and K. El-Sayed

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Molecular and crystalline structure of two new nitrogen-sulphur pro-ligands from single-crystal diffraction data and solid-state DFTB calculations

E. E. Ávila, A. J. Mora, G. E. Delgado, R. R. Contreras, W. Mendéz and A. Briceño

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A thermodynamic comparison of hydrophobic versus hydrophilic ligand-protein interactions

C. Dennis, N. Syme, A. Bronowska and S. Homans

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Structure determination of two potential parasitic drug targets of the SAHH family

M. Siponen, M. Wisniewska, T. Karlberg, A.-G. Thorsell, J. Weigelt and H. Shüler

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DNA flipping by restriction endonucleases

R. H. Szczepanowski, H. Czapinska, M. Carpenter, M. Zaremba, G. Tamulaitis, V. Siksnys, A. Bhagwat and M. Bochtler

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Crystals of BcrR, a membrane-bound bacitracin sensor and DNA-binding protein

S. Cutfield, J. Gauntlett and G. Cook

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Structure of membrane-bound cytochrome c nitrite reductase NrfHA complex

M. Archer, M. L. Rodrigues, T. F. Oliveira and I. A. C. Pereira

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Crystallographic structure of xanthorhodopsin, the light-driven proton pump with a dual chromophore

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Crystallization of N-terminal strep-tagged fusion lipase from thermostable Bacillus sp. strain 42

M. Basri, R. N. Zaliha, R. A. Rahman, T. H. T. Abd Hamid and A. B. Salleh

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Crystallization of mutated T1 Lipase from thermostable Geobacillus zalihae strain T1

R. N. Zaliha, R. A. Rahman, A. T. C. Leow, A. B. Salleh and M. Basri

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Hydrophilic polymers as efficient protein surface-shielding agents in protein crystallization

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

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Expression, purification and crystallization of human bile acid-coA:amino acid N-acyltransferase (BAAT)

L. Civiero, S. Capaldi, M. Perduca and H. L. Monaco

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Novel crystallisation-plate imaging system using ANS-based fluorescence at the EMBL Hamburg high-throughput crystallisation facility

D. Watts, V. Lamzin, J. Muller-Dieckmann and M. Groves

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Dehydration-induced phase transition in D-xylose isomerase

F. Gramiccia, C. Besnard, Y. Pellegrinelli, S. Basso and M. Schiltz

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Crystallization and structure of two bovine insulin derivatives

B. Prugovečki, I. Đilović and D. Matković-Čalogović

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Arabidopsis SET-domain proteins with different histone methyltransferase activity

M. A. Rahman, S. V. Sandvik, T. Thorstensen, W. Davies and R. B. Aalene

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Protein crystallisation screening by the counter-diffusion technique

L. A. Gonzalez-Ramirez, A. G. Caballero, D. Choquesillo-Lazarte and J. M. Garcia-Ruiz

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Protein crystallization: robotics, procedures and developments

F. Gorrec, O. Perisic, K. Michie, G. Schertler and J. Löwe

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X-ray diffraction from crystals in crystallization plates

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Absorption correction and optimal planning of data collection based on a 3D sample model

R. M. F. Leal, I. Belyaev, S. C. M. Teixeira, V. T. Forsyth, E. P. Michell and A. S. Popov

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Recent advances in CRANK

W.-J. Waterreus, N. Pannu, P. Skubák, I. Sikharulidze, J. P. Abrahams and R. A. G. de Graaff

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Using MOLREP for fragment-based electron-density interpretation at low resolution

S.-Y. Ku and T. R. Schneider

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Coordinate variations in structural ensembles from different refinement methods

J. Negroni, R. Mosca and T. R. Schneider

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Advancement of the main-chain tracing in ARP/wARP.

H. Dörksen and V. S. Lamzin

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Intensity to amplitude conversion using CTRUNCATE

N. Stein and C. Ballard

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A graphical front end for the ARP/wARP software in macromolecular

G. G. Langer and V. S. Lamzin

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Homology modeling of VEGF-D as a basis for structural and functional analysis

L. Viitanen, P. I. Toivanen, T. Nieminen, A. Alitalo, M. Roschier, S. Jauhiainen, J. E. Markkanen, O. H. Laitinen, T. T. Airenne, T. A. Salminen, M. S. Johnson, K. J. Airenne and S. Ylä-Herttuala

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Sticky triangles for experimental phasing

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

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Molecular replacement using ab initio polyalanine models generated with ROSETTA

M. Winn, D. Rigden and R. Keegan

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Multiple open reading frames GARP content and a 32-letter genetic code

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

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DIBER: protein, DNA, or both?

G. Chojnowski and M. Bochtler

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Biophysical analyses on plant heterotrimeric G-proteins

B. Kaplan Türköz, S. İskit and Z. Sayers

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Purification and structural analysis of durum wheat metallothionein domains

F. Collak, F. Yesilirmak, G. Dinler and Z. Sayers

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Structural studies on mutant wheat metallothioneins

C. Saygi, A. Akturk, M. Aydın, F. Yesilirmak and Z. Sayers

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Structural study of metal nanoparticles, promising biotechnological materials

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

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Ligand's den: PURY-based hetero molecules' geometry validation server

M. Andrejašič and D. Turk

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X-ray tomography on MX samples

S. Brockhauser, A. A. McCarthy, M. Di Michiel, J. E. McGeehan and R. B. G. Ravelli

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Crystal structure of the TGEV papain-like protease 1 (PLpro1)

J. A. Wojdyla, E. J. Snijder, A. E. Gorbalenya and P. A. Tucker

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Structure of the C-terminal domain of NSP4 from feline infection peritonitis virus

I. Manolaridis, J. A. Wojdyla, S. Panjikar, E. J. Snijder, A. E. Gorbalenya, B. Coutard and P. A. Tucker

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What is so sweet about neutron crystallography?

S. Teixeira, M. Blakeley, R. Leal, E. Mitchell and T. Forsyth

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Structure and assembly of a PLP-dependent dodecameric L-aspartate β-decarboxylase

H.-J. Chen, T.-P. Ko, C.-Y. Lee, N.-C. Wang and A.H.-J. Wang

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Crystal structure of Staphylococcus aureus phosphopantetheine adenylyltransferase in complex with 3'-phosphoadenosine 5'-phosphosulfate (PAPS) reveals a new ligand binding mode

H.-J. Yoon, H. Ho Lee, J. H. Park and S. W. Suh

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Single-stranded DNA-binding protein complex from Helicobacter pylori

Y.-J. Sun and K.-W. Chan

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Structural basis for novel interactions between human TLS polymerases and PCNA

A. Hishiki, H. Hashimoto, T. Hanafusa, K. Kamei, E. Ohashi, T. Shimizu, H. Ohmori and M. Sato

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Structural characterization for the nucleotide binding ability of subunit A of the A1AO ATP synthase

M. S. S. Manimekalai, A. Kumar, A. M. Balakrishna and G. Grüber

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Development of the protein microcrystal handling technique using a laser tweezers

T. Hikima, T. Shimizu and M. Yamamoto

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Crystal structures of metal ion containing adenylate kinase from Desulfovibrio gigas

A. Mukhopaadhyay, A. V. Kladova, J. Trincão, S. A. Bursakov, I. Moura, J. J. G. Moura and M. J. Romão

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Proton transfer mechanisms in multi-copper oxidases: studies in CotA-laccase

C. S. Silva, Z. Chen, P. Durão, P. F. Lindley, L. O. Martins, C. M. Soares and I. Bento

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The phase 1 MX beamlines at Diamond Light Source: experience from operation and commissioning

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Insight into the reduction potentials of Allochromatium vinosum-like ferredoxins

E. Saridakis, P. Giastas, J.-M. Moulis, P. Kyritsis and I. M. Mavridis

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High-resolution X-ray and neutron data collection on antifreeze protein

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

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Quantitative analysis of atomic polarization in protein human aldose reductase

M. Parthapratim, G. Benoit, L. Dorothee and J. Christian

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Layered silicates: polysomatic macaulayite-burckhardtite series

O. V. Yakubovich, W. Massa and N. V. Chukanov

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Fettelite, [Ag₆As₂S₇][Ag₁₀HgAs₂S₈]: structure, twinning, and revised chemical formula

S. Menchetti, L. Bindi, F. N. Keutsch and C. A. Francis

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Ordering of the Al cation distribution in the octahedral sheets related to the ordering of Al in the tetrahedral sheets of phlogopite investigated by 2D CPMAS NMR and Monte Carlo simulations

R. Langner, M. Fechtelkord, E. Palin, A. Garcia and J. López-Solano

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X-ray powder diffraction of synthetic Al-rich phlogopites: lattice parameters, polytypes, stacking faults, and implication of modulations

M. Fechtelkord, R. Langner, B. Marler, K. Friese and A. Grzechnik

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High-temperature X-ray diffraction study of tantalum oxides phases

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Crystal chemistry of the divalent cations in solid-state synthesized fillowite-type phosphates

M. Rondeux, F. Hatert and A. M. Fransolet

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Thermal expansivity and dehydrogenation in amphiboles

R. Oberti, M. Zema, S. Tarantino and M. Boiocchi

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Crystal chemistry of wyllieite-type phosphates

F. Hatert, A. M. Fransolet, E. Roda-Robles and M. Galliski

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Holtite from Szklary, Poland

S. Zelek, A. Pieczka and K. Stadnicka

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Layered brownmillerites in the system of manganese-containing alumino-ferrites

H. Krüger, S. Stöber, M. Sulzbachner, H. Pöllmann and V. Kahlenberg

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Solid solutions of BiFe_1−xMn_xO₃ as a base of new multifunctional materials

P. Teslenko, L. Reznitchenko, O. Razumovskaya, Y. Kabirov and M. Kupriyanov

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Investigation of the structure role in the formation of twins

G. Ferraris and M. Nespolo

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Non-MDO four-layer ferrophlogopite from Ruiz Peak (New Mexico)

M. Nespolo and I. Pignatelli

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The misfit layer structure of franckeite

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

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A bond-valence study of iron sulfides

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Temperature-dependent structural and spectroscopic studies of sodium gallosilicate sodalites of nitrite containing phases

T. M. Gesing and M. M. Murshed

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Neutron diffuse scattering study of CaTiSiO₅ at room temperature

M. J. Gutmann, C. K. D. Stock and I. P. Swainson

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Synthesis and crystal structure of SrFe[BP₂O₈(OH)₂] and CaCo(H₂O)[BP₂O₈(OH)]·H₂O

P. W. Menezes, S. Hoffmann, Y. Prots and R. Kniep

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Solid solution series in transition metal borophosphates

F. Gruchow, S. Hoffmann and R. Kniep

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Sr₁₀(PO₄)_5.5(BO₄)_0.5(BO₂): a strontium borate-phosphate closely related to the apatite crystal structure

S. Chen, S. Hoffmann, W. Carrillo-Cabrera, L. G. Akselrud, Y. Prots, J.-T. Zhao and R. Kniep

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NaSc[BP₂O₆(OH)₃][(HO)PO₃]: synthesis and crystal structure of the first alkali metal scandium borophosphate hydrogenphosphate

S. Hoffmann, P. W. Menezes, Y. Prots and R. Kniep

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The crystal chemistry of huntite-like RM₃(BO₃)₄ polytypes

E. Yu. Borovikova, V. S. Kurazhkovskaya, E. V. Koporulina, N. I. Leonyuk and E. L. Belokoneva

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Structural study of amino acid salts consisting of mineral anions

R. Benali-Cherif, A. Direm and N. Benali-Cherif

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New structural features in RbCr^III(C₂O₄)₂(H₂O)₂ (II)

M. Hamadène, H. Kherfi, A. Guehria-Laïdoudi, S. Dahaoui and C. Lecomte

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Polymorphism of silicates of anhydrous cement as treasury for the most advanced concretes

F. Dunstetter, M. Courtial and M.-N. de Noirfontaine

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Structure of metastable ScBO₃ phases

E. Kudrenko, V. Morozov, I. Shmyt'ko, G. Strukov and T. Fursova

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Mineral apatite as a periodic model of surface to living cell growth

M. Suder, M. Tyszka-Czochara and K. Stadnicka

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Kinetics of the dehydroxylation and mullitization processes of nanotubular halloysite mineral

M. R. Boudchicha, H. Akkari, A. Chorfa, L. Kadissa and W. Moumene

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Defects in fluorite structure caused by natural irradiation

V. Vlček, R. Skála, J. Čížek, J. Drahokoupil, J. Valenta, J. Ederová and V. Goliáš

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Reversible phase transition in precious metal-doped LaMnO₃ perovskites

D. Stuermer, L. Giebeler and H. Fuess

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Gallery of back-reflection Laue images of some optical and magnetic crystals

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Control of morphology, size and porosity of the zinc oxide by chemical additives

B. Akin and M. Oner

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Synthetic dimetaborates REEAl_1.67+0.67x(B₄O₁₀)O_x (x ≤ 1) (REE = La, Ce, Nd, Pm, Sm, Eu): crystal-chemical study and comparison with natural counterpart peprossiite-(Ce)

F. Capitelli and N. I. Leonyuk

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Influence of F⁻/OH⁻ exchange on the morphology of apatite-gelatine composites

Y. Öztan, P. Simon and R. Kniep

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Crystal structure of ZnWO₄ (sanmartinite) scintillator material in the range of 3-1423 K

D. M. Trots, A. Senyshyn and L. Vasylechko

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Synthesis and characterization of new fluorbritholites

A. Hassine, N. Jaba and K. Bouzouita

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Quantitative phase analysis of model painting layers: a comparison of X-ray micro diffraction with conventional transmission and reflection geometries

P. Bezdicka, E. Kotulanova and M. Klementova

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Mineralogical and art-historic traits in investigation of 'anonymous' paintings

D. Hradil, J. Hradilová, P. Bezdička and J. Vlčková

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Practical realization of Moroccan geometric pattern

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

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Anatolian Turkish architectural ornamentation: crystal symmetry applications

D. Rodoplu, S. Ide, E. H. Soylu, N. S. Dogan, E. Bilget and H. Simsek

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Characterization of clay used for beauty by the Moroccan traditional women

F.-Z. Boujrhal, R. C. El Moursli and H. Poellmann

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XRF and DRX analysis of Numide archaeological coin

M. Henia, M. Abdelghani, A. Redha, M. Abdelhamid and D. Andre

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Beauty of symmetries in carpet of Babar (Khenchela-Algeria)

N. Benali-Cherif

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X-ray diffraction study of order-disorder phase transition and thermal properties in CuMPt6 (M = 3d elements) alloys

K.-i. Ohshima and M. Takahashi

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Structural filiations in M^II(M^IVO)₂(PO₄)₂ oxyphosphates with M^IV = Ti, V

P. Gravereau, S. Kaoua, J.-P. Chaminade, S. Krimi, S. Benmokhtar and A. El Jazouli

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NPD study of doped ZrO₂ up to 1500°C: implications for glass furnace refractory walls

J. Haines, A. Gioia, P. Papet, O. Isnard, M. Gaubil and I. Cabodi

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Magnetic and magnetocaloric result of magnetic field-induced transitions in La_1−xCe_xMn₂Si₂

B. Emre, I. Dincer and Y. Elerman

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Synthesis, crystal structure and vibrational and optical spectra of Sr_0.5Zr₂(AsO₄)₃

A. El Jazouli, A. Jrifi, J. P. Chaminade and M. Couzi

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Magnetocaloric properties of the Gd₅Si_2−xGe_2−xMn_2x compounds

Y. Elerman, E. Yuzuak and I. Dincer

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Multinary layered tellurides with almost homometric structures

M. N. Schneider and O. Oeckler

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Temperature- and concentration-induced structural transitions in Pr_1−xR_xAlO₃

L. Vasylechko, T. Basyuk, A. Senyshyn, D. Trots, R. Niewa and S. Hoffmann

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Hydrogen storage materials studied at neutron powder diffractometer SPODI

M. Hoelzel, E. Weidner-Ronnefelder, F. Dolci, J. Hu, N. Juenke and H. Fuess

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Kinetic and morphological effects of biopolymers on the growth of hydroxyapatite crystals

O. Doğan, O. Cinel and M. Öner

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Control of calcium oxalate crystallization by using polymeric additives

E. Akyol, S. Kırboğa and M. Öner

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The phenyl substitution effects on the 2,4,6-triphenoxy-1,3,5-triazines

A. Kálmán, P. Bombicz and N. B. Báthori

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Crystal structure of Na₃MgTi(PO₄)₃

S. Krimi, A. El Jazouli and A. Lachgar

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Absorption X-ray in quartz crystal with temperature gradient

V. R. Kocharyan

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Crystallography of CuZnAl austenite via combined XANES, EXAFS and XRD analysis

G. Ciatto, P. L. Solari, S. De Panfilis, A. L. Fiorini, S. Amadori, L. Pasquini and E. Bonetti

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Twin structure of solid oxide electrolytes

T. Tataryn, D. Savytskii, L. Vasylechko, C. Paulmann and U. Bismayer

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Molecular alignment of ferroelectric liquid crystals by polyimide thin film

A. Yildirim and S. Yilmaz

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Tensor distinction of domains in ferroic crystals

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Ferroelectric properties and structural relationship in BaSc_1/2Ta_1/2O₃-BaTiO₃ system

K. Taïbi, N. Bensemma, A. Kerfah, A. Guehria-Laidoudia and A. Simon

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Combined refinement of high-resolution neutron and synchrotron data of PLZT

M. Hinterstein, R. Schierholz, M. Hölzel, A. Senyshyn, J. Kling, L. A. Schmitt, H.-J. Kleebe, H. Kungl, M. Knapp and H. Fuess

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Probing the giant piezoelectric effect at the atomic scale in PbZn_1/3Nb_2/3O₃

J. Rouquette, A. Al-Zein, J. Haines, P. Papet, C. Levelut, H. Dammak and O. Mathon

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Domain structure in PbZr_1−xTi_xO₃

R. Schierholz and H. Fuess

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Electron diffuse scattering in epitaxially grown SrTiO₃ thin film.

J. Pacaud and F. Pailloux

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Magnetic and dielectric properties of Fe-based langasites

P. Bordet, K. Marty, V. Simonet, M. Loire, E. Ressouche, R. Ballou, C. Darie, J. Kljun, O. Isnard, B. Zawilski, P. Lejay and C. Simon

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Ferroelectric ordering of Cd₂Nb₂O₇

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Crystal structure analysis of some metallic pyrochlores

Y. Matsushita, K. Ohgushi, Y. Katsuya and M. Tanaka

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Neutron diffraction studies of new magnetoelectric perovskites

R. Tellgren, S. A. Ivanov, P. Nordblad and C. Ritter

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Synthesis of a new compound based on tin(II) with intermediate SnX4E and SnX5E geometry

M. T. Nardjes and B. Sihem

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Synthesis of silver nanoparticles in polyelectrolyte matrix

J. Girard and K. M. Fromm

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Antimicrobial-coated surfaces

P. S. Brunetto and K. M. Fromm

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Structural and electrical properties of specular spin valve with CuO_x spacer

M. Yildirim, R. M. Oksuzoglu and H. Cinar

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Thickness optimization of underlayer and seed layer for spin valves

H. Cinar, R. M. Oksuzoglu and M. Yildirim

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Influence of deposition technique on growth and resistivity of Ta/NiFe nano films

O. Çapar, M. Yıldırım, H. Çınar and R. M. Öksüzoğlu

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DFT modelling of defects in strontium titanate

M. Zschornak, E. Gutmann, H. Stöcker, I. Shakhverdova, T. Weißbach, T. Leisegang, D. C. Meyer and S. Gemming

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The benefit of nanoindentation for the evaluation of near-surface properties

P. Paufler, I. P. Shakhverdova and D. C. Meyer

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Texture measurements on thin films using an X-ray microfocus source

B. Hasse, J. Graf and C. Michaelsen

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Effect of Sn dopant on the crystalline structure of sol-gel coated ZnO film

Y. Caglar, M. Caglar and S. Ilican

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XRD study of indium oxide film deposited by sol-gel spin coating

M. Caglar, S. Ilican, Y. Caglar and F. Yakuphanoglu

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Effects of plastic deformation and inhomogeneous thermal fields during grinding and milling on the real structure of steels

Z. Pala, N. Ganev and J. Drahokoupil

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Defects study of polymorph B enriched zeolite beta

D. Zhang, J. Sun, S. Hovmöller and X. Zou

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Nano properties and X-ray crystallographic analysis of hard coatings synthesized by PVD and IBAD

B. Škorić, D. Kakaš, G. Favaro and A. Miletić

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Switching from negative to positive nonlinear absorption in Sn-doped GaSe crystal

A. Elmali, M. Yüksek, M. Karabulut and G. M. Mamedov

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Low-temperature crystal structure of Li₂B₄O₇

A. Senyshyn, Y. Burak, V. Adamiv and H. Fuess

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Spectroscopic study and third-order nonlinear optical behavior of N-(2-hydroxy-4-methoxybenzylidene)-3-nitroaniline

H. Ünver, A. Karakaş, A. Elmali and T. N. Durlu

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The peculiarities of angular width of diffracted X-rays at the presence of temperature gradient

V. V. Margaryan, K. T. Hayrapetyan and S. N. Noreyan

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Effect of cobalt doping on the gahnite structure

B. Grzeta, J. Popovic, E. Tkalcec, S. Kurajica and B. Rakvin

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Multi-energy anomalous diffuse scattering

Z. Šourek, M. Kopecký, J. Fábry, J. Kub, A. Lausi and E. Busetto

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New understanding of anomalous transmission and absorption and additional unusually curious facts

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The phenomenon of focusing of X-ray in crystals under influence of the temperature gradient

V. V. Margaryan, K. T. Hayrapetyan and S. N. Noreyan

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Effect of doping on the structure of Bi₄Ge₃O₁₂

R. Titorenkova, R. Nikolova and B. Mihailova

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Neutron diffraction study of magnetic ordering in Ce(Mn_1−xFe_x)₂Ge₂

V. Sikolenko, E. Pomjakushina, A. Cervellino and A. Senyshyn

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Magnetic structure of ZnFe₂O₄

A. Kremenovic, P. Vulic, B. Antic, E. S. Božin and J. Blanusa

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Mesoporous 3d transition metal oxides: magnetic and crystallographic studies

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Enhanced orbital magnetic moment of an highly ordered epitaxial FePt thin film grown from multilayers by ion-assisted sputtering deposition

C.-H. Lee, Y.-S. Chen, L.-J. Liu and J. C. A. Huang

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X-ray scattering study of the phase transition in Nd_1/2Sr_1/2MnO₃

C.-h. Du, C.-H. Yao, Y.-C. Lia, M. E. Ghazi and P. D. Hatton

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Specific procedures of TEM sample preparation for fuel cell electrodes and components

U. Kunz, F. Scheiba, N. Benker, H. Fuess and C. Roth

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Structural investigations of MEAs for fuel cells via electron microscopy

S. Zils, N. Benker and C. Roth

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Identification of micro and nanoparticles by SEM and XRD in forensic field

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Symmetry of bend contours in electron microscopic images of nanothin crystals

M. Vyacheslav, S. Victor, M. Andrey, M. Oleg and P. Vladimir

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Coherent X-ray diffraction from sub-micron protein crystals

C. Besnard, F. Gramiccia, S. Basso, C. Kewish, P. Pattison, F. Pfeiffer and M. Schiltz

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Structure and electrochemical study of (Z)-1,2-diphenyl-2-(phenylhydrazono)ethanone

A. Djedouani, M. Yahiaoui, A. Bendaas and S. Bouacida

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Cryogenic X-ray diffraction microscopy with hard X-rays for biological samples

E. Lima, L. Wiegart, P. Pernot, M. Howells, F. Zontone and A. Madsen

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Experimental charge-density study of Co(III) complex with famotidine

B. M. Drašković, S. B. Novaković, G. A. Bogdanović and B. Fraisse

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Probing chemical bonds: X-ray charge-density studies on bond formation and interactions in peri-substituted naphthalenes

M. Pitak, S. J. Coles and J. D. Wallis

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Electronic structure of Cu(III) complex (P(Ph)₃CH₃)[Cu(bdt)₂]

M. Fronc, J. Kamenicek, P. Herich, J. Moncol and J. Kozisek

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Charge-density study of (E)-4-(2,4-diisopropylphenyl)-4-oxo-2-butenoic acid

S. B. Novaković, G. A. Bogdanović, B. J. Drakulić, A. Spasojević-de Biré and I. O. Juranić

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Topological analysis of vanadium borides from high-resolution single-crystal diffraction data

B. Terlan, H. Borrmann and Y. Grin

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Electron charge-density distribution in an organic compound: the 4,4-dimethyl cyano biphenyl (DMACB)

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

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Collecting 3D electron diffraction data for crystal structure determination

S. Hovmöller, D. Zhang, D. Grüner, X. Zou and P. Oleynikov

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Structure determination of IM-5 by electron microscopy alone

J. Sun, Z. He, S. Hovmöller, X. Zou, F. Gramm, C. Baerlocher and L. B. McCusker

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Application of automated diffraction tomography to structural solution of inorganic phases: charoite

E. Mugnaioli, U. Kolb, I. Rozhdestvenskaya, W. Depmeier and M. Czank

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Ab initio structure solution of organic materials from electron diffraction tomography data

T. Gorelik, E. Mugnaioli and U. Kolb

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In situ X-ray powder diffraction study of R_1−xNd_xAlO₃ (R = La, Pr)

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

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Single-crystal-to-single-crystal photoinduced Orton rearrangement of substituted N-chloroanilides: a new efficient, selective, solventless method for aromatic chlorination

Y. Topcu and P. Naumov

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Synthesis, structure and thermal behaviour of a strontium-pimelate framework

K. Aliouane, A. Guehria-Laidoudi, S. Dahaoui and C. Lecomte

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The crystal structures of polymorphs of strontium ranelate

K. Stahl, C. G. Hartmann, C. B. Prag, S. R. Sørensen, A. C. Raffalt, S. Christgau and J. E. T. Andersen

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Deformation defects in solids: from dislocations to plasticity localization waves

L. Zuev and S. Barannikova

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Reversible structural changes by electrostatic fields in strontium titanate at room temperature

H. Stöcker, T. Leisegang, M. Zschornak, A. A. Levin, E. Gutmann, T. Weißbach, S. Gemming and D. C. Meyer

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Temperature-dependent X-ray diffraction studies of mullite-type (Bi_1−xSr_x)₂M₄O₉ phases

R. X. Fischer, H. Schneider and T. M. Gesing

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Synthesis and crystal structure of Zr_0.43Gd_0.57O_1.07N_0.43

E. Schweda and S. Meyer

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Crystallization and microstructure evolution of TiO₂ thin films and powders studied by XRD total pattern fitting and stress analysis

R. Kužel, Z. Matěj and L. Nichtová

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Barium ternary fluorides BaMF₄ (M = Mn, Zn, or Mg) at non-ambient conditions

J. M. Posse, A. Grzechnik and K. Friese

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Modulated structures in aluminate sodalites

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Molecular structure of 4-(9-anthryl)-1-phenylspiro[azetidine-3,90-xanthen]-2-one

I. Çelik, M. Akkurt, A. Jarrahpour, E. Ebrahimi and O. Büyükgüngör

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Concentration modulations and short-range versus long-range order in layered tellurides

O. Oeckler and M. N. Schneider

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The modulated structure of Λ-Co(sepulchrate)trinitrate at T = 100 K

A. Schönleber, S. van Smaalen, W. Morgenroth and F. K. Larsen

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DRAWxtl 5.4 an open-source program to produce crystal structure drawings

M. Kroeker, B. H. Toby and L. W. Finger

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RASTGUI - a free software package for reciprocal space mapping

C. Paulmann and T. Malcherek

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Modeling of decagonal quasicrystals

S. Deloudi and W. Steurer

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For some commensurately modulated structure, different index conditions can see different average structures

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Structures of some 4,5-dichlorophthalimide derivatives

O. Büyükgüngör and M. Odabaşoğlu

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2-{1-[(4-Methoxyphenyl)imino]ethyl}-4-nitrophenol

T. Akbal, A. Erdönmez, E. Ağar and F. Erşahin

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Synthesis and crystal structure of 2-(7-sulfanyl-4-methyl-coumarinyl)-3-(1-ethoxy)-1,4-naphthoquinone

N. G. Deniz and C. Ibis

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Structures of some isoindolo-benzoxazine derivatives

M. Odabaşoğlu and O. Büyükgüngör

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Synthetic, structural and luminiscence properties of a new phosphorescent cadmium chloride network with 2-aminopyrimidine

D. Choquesillo-Lazarte, J. M. García Ruiz, A. Rodríguez-Diéguez and E. Colacio

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Structural and magnetic properties of two novel Fe(III) Schiff base complexes

Y. Yahsi, H. Kara, O. Buyukgungor, A. Iakovenko and L. Sorace

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Use of [Fe(dithiooxalate)₂NO]²⁻ as a molecular tecton in crystal engineering

H. Kara, C. J. Adams and A. G. Orpen

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Manganese(III)-Schiff base-hexacyanoferrate polymeric compound. Synthesis, structure, and magnetic properties

E. Gungor, H. Kara, R. Kurtaran, A. Azizoglu, Y. Yahsi and L. Sorace

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The cyano-bridged pentanuclear Mn(III)₄Fe(III) cluster. Structure and magnetic properties

A. Karaoglu, H. Kara, R. Kurtaran, A. Azizoglu, Y. Yahsi, L. Sorace, R. Hughes and M. F. Haddow

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Cyanide-bridged Mn(III)-Fe(III) bimetallic complex. Structure and magnetic characterization

A. Karahan, H. Kara, R. Kurtaran, A. Azizoğlu, Y. Yahsi and L. Sorace

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Polyether adducts of d-block metal compounds as starting materials for new cluster compound

A. Crochet and K. M. Fromm

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Design, synthesis, structural and magnetic properties of pillared Mn(II) ethylmalonate complexes

M. Déniz, J. Pasán, O. Fabelo, L. Cañadillas-Delgado, A. B. Lago and C. Ruiz-Pérez

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Crystal structure of new 1D polymer {[Cd(NioxH₂)(SO₄)(Bpy)](NioxH₂)(H₂O)₃}_n

L. Croitor, E. B. Coropceanu, Y. M. Chumakov and M. S. Fonari

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Binuclear Cu(II) dioximates and Zn(II) and Cd(II) dioximes mediated by 4,4′-bpy

E. B. Coropceanu, L. Croitor, Y. M. Chumakov, M. Gdaniec, B. Wicher and M. S. Fonari

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Structural disorder and spin crossover: how weak interactions affect the spin state of a molecular Fe(II) complex

D. Chernyshov, K. W. Törnroos and H.-B. Bürgi

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Growth conditions, point defects and some properties of langasite

E. Tyunina, G. Kuz'micheva, O. Zaharko, A. Cousson, V. Rybakov and A. Dybovskiy

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Magnetic structure of the molecular compound [Co₂(bta)]_n (H₄bta: pyromellitic acid)

O. Fabelo, L. Cañadillas-Delgado, J. Pasán, F. S. Delgado, I. Puente-Orench, J. Campo, J. Rodriguez-Carvajal and C. Ruiz-Pérez

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Crystal structures and magnetic properties of a series of copper(II)-methylmalonate complexes with 4,4′-bipyridine

J. Pasán, P. Diaz-Gallifa, M. Déniz, L. Cañadillas-Delgado, O. Fabelo, J. Sanchiz, F. Lloret, M. Julve and C. Ruiz-Pérez

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Crystal engineering of metal barbiturates as potential NLO materials

M. Gryl and K. M. Stadnicka

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Synthesis and crystal structures of four heptanuclear mixed-valence [Fe(CN)₆{FeL}₆]Cl₂ complexes

J. Moncol, I. Šalitroš and R. Boča

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Novel Co(II) and Ni(II)-Nitrito Complexes with NNN Type Ligand

C. Hopa, M. Alkan, R. Kurtaran, H. Kara, R. Hughes and M. F. Haddow

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Iodine inclusion in heptane-1,7-diammonium diiodide salts

C. van Blerk and G. J. Kruger

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A magnetostructural D-correlation in mononuclear Ni(II) complexes

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New generation of metal string complexes: strengthening metal-metal interaction via naphthyridyl group modulated oligo-α-pyridylamido ligands

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Asymmetric linear nickel metal string complexes: a manipulation of electronic structures through supporting ligands

S.-A. Hua, I.P.-C. Liu and S.-M. Peng

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Syntheses and studies of linear metal string complexes: [Ni₁₀(μ₁₀-bdpdany)₄(NCS)₂](PF₆)₂ and [Ru₂Ni₂(DAniDANy)₃(OAc)₂Cl]

J.-H. Kuo, G.-C. Huang and S.-M. Peng

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Insight into crystal structure/optical properties relationships of new N-salicylidene anils

B. Tinant, F. Robert, A. D. Naik and Y. Garcia

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Cation and ligand roles in the coordination of Fe^III bisdithiolene complexes

I. Corderio Santos, A. I. S. Neves, D. Belo and M. Almeida

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pH indicators - molecular structure and proton distribution

Z. Urbanczyk-Lipkowska and P. Kalicki

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Enclathration by a xanthenol host via solid-solid reactions: structures and kinetics

A. Jacobs, L. R. Nassimbeni, K. L. Nohako, G. Ramon and J. H. Taljaard

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Existence region of type I clathrates in the system Ba-Ni-Ge

U. Aydemir, H. Borrmann, C. Hébert, N. T. K. Liên, U. Burkhardt, M. Baitinger and Y. Grin

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Valence tautomerism of a novel polymeric Mn(II) species

F. Caruso, E. Chacon-Villalba and M. Rossi

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Structural analysis, magnetic properties of the Bi₂Sr₂Ca(Cu_2−xCo_x)O_8+d system

N. Boussouf, M. F. Mosbah, A. Amira and T. Guerfi

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The supramolecular assemblies of a selection of imidazole derivative and dicarboxylic acid salts

S. K. Callear and M. B. Hursthouse

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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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The crystal structure, substructure and properties of langatate

E. Domoroshchina, I. Kaurova, G. Kuz'micheva, E. Kudrenko, I. Smirnova, V. Rybakov, O. Zaharko and A. Cousson

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Simple decoration of inclusion cavities within isostructural two-component organic salts

J. Galcera, T. Friščić, E. Molins and W. Jones

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Orientation ordering of the fullerene molecules in the ionic multicomponent complex (MDABCO⁺)·(C₆₀^.−)·TPC

S. Khasanov, D. Konarev and G. Saito

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Structural effects of lateral substitution and solvation on a calixarene

P. Bombicz, T. Gruber, M. Gruner, C. Fischer, W. Seichter and E. Weber

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Cyclodextrin inclusion of agrochemicals: complexes of the herbicides metobromuron and monolinuron

V. J. Smith, M. R. Caira and S. A. Bourne

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Selectivity of butanol isomers by enclathration

H. Su, P. W. Linder and L. R. Nassimbeni

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About crystal structure of mountainite

R. G. Askerov, M. I. Chiragov, K. G. Ragimov and A. F. Shirinova

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Multitopic ligand approach for the synthesis of new mixed-metal compounds

F. Gschwind and K. M. Fromm

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Dynamic porous crystals via halogen bonding

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

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Silver coordination complexes with fluorescent ligands

J. Chen and K. M. Fromm

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From X-ray structure to gel - can we predict gelation abilities of small molecules?

R. Luboradzki, M. Pyzalska and Z. Pakulski

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β-Cyclodextrin inclusion complexes of L- and D-tryptophan. Chiral discrimination

I. M. Mavridis, S. D. Chatziefthymiou and A. Paulidou

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Conformational adaptations of podands as a base for selective binding of stereoisomers

K. Užarević, I. Đilović, M. Cindrić and D. Matković-Čalogović

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Crystal structure of cyclodextrin complexes with antioxidant substances

E. Christoforides, F. Tsorteki, A. Kokkinou, P. Tzamalis, A. Hountas, K. Bethanis, C. Pappas and D. Mentzafos

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Molecular association in the dichloridobis(2-methoxydibenzo[c,e]-[1,2]oxaphosphorine-κP)platinum(II):trichloromethane 1:1 solvate

T. Holczbauer, C. Németh, E. Pfeifer, J. Mink, A. Kerényi, G. Keglevich and M. Czugler

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Structural investigations of Cd complexes of bisphosphonate ester derivatives

J. Jokiniemi, J. J. Vepsäläinen, H. Nätkinniemi, S. Peräniemi and M. Ahlgrén

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Supramolecular chemistry of Reinecke salt derivatives

M. Czugler and V. Kudar

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High-performance organic field-effect transistors, textured by self-assembly

J. W. Andreasen, C. M. Duffy, H. N. Tsao, D. W. Breiby, W. Pisula, M. Ando, T. Minakata, D. Cho, A. Rouhanipour, M. M. Nielsen, H. Sirringhaus and K. Müllen

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Variation in the supramolecular assembly of the molecular container p-sulfonatocalix[4]arene, a well-known supramolecular building block

C. L. Oliver and L. J. Barbour

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Structure of 2-amino-3-hydroxymethylpyridinium 2-benzoylbenzoate monohydrate

H. Y. Odabaşoğlu, M. Odabaşoğlu and O. Büyükgüngör

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Chiral supramolecular chemistry crystal structure synthesis - constructing channel structures based on D₃ metal complexes

S. N. A. Halim, C. J. Adams and A. G. Orpen

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Surface modification of calcium hydroxyapatite and fluoroapatite by grafting methyl phosphonic dichloride

H. Agougui, A. Aissa and M. Debbabi

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Experimental and semi-empirical and DFT calculational studies on (E)-2-(1-(2-(4-methylphenylsulfonamido)ethyliminio)ethyl)phenolate

G. Alpaslan, E. Ağar, F. Erşahin, S. Işık and A. Erdönmez

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The crystal structure and conformational analyses of 2-[(2-bromophenylimino)methyl]-4-methoxyphenol

Z. S. Şahin, F. Erşahin, E. Ağar and S. Işık

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Crystallographic and conformational analyses of (E)-4-methoxy-2-((4-methoxyphenylimino)methyl)phenol

O. Şahin, O. Büyükgüngör, M. Odabaşoğlu and C. Albayrak

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Crystal structure of 1,1,3-trioxo-2,3-dihydro-1,2-benzisothiazol-2-ylmethyl 4-phenyl piperazine-1-carbodithioate, C₁₉H₁₉N₃O₃S₃

M. Akkurt, S. P. Yalçın, O. Güzel, A. Salman and O. Büyükgüngör

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Mono-, di-, poly-nuclear and one-, two- and three-dimensional Ag(I) saccharinate complexes with diamine ligands: syntheses, thermal analyses, crystal structures and antimicrobial properties

G. Kastas, H. Pasaoglu, O. Z. Yesilel, C. Darcan, A. Mutlu and O. Buyukgungor

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Diaquabis(3-hydroxybenzoato-κO)bis(nicotinamide-κN)zinc(II)

O. Şahin, O. Büyükgüngör, D. A. Köse and H. Necefoğlu

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Bis[μ-(acesulfamato-N,O:O)(acesulfamato-N,O)bis(2-methylpyridine)cadmium(II)]

Z. S. Şahin, H. İçbudak and S. Işık

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(E)-2-[(2-Chlorophenyl)iminomethyl]-4-methylphenol

O. Deveci, S. Işık, F. Erşahin and E. Ağar

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The structure of (Z)-6-[(2-chlorophenylamino)methylene]-2-hydroxycyclohexa-2,4-dienone at two different temperatures

E. Temel, C. Albayrak, M. Odabaşoğlu and O. Büyükgüngör

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Crystal structure and quantum mechanical calculations of (E)-4-methoxy-2-[(o-tolylimino)methyl]phenol

A. Özek, O. Büyükgüngör, C. Albayrak and M. Odabaşoğlu

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Two monoclinic polymorphs of bis(4-cyanobenzylidene)butanediamine: the crystal structure and Hirshfeld surface studies

R. Kia and H.-K. Fun

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Crystal structure of (E)-3-[(4-ethylphenylimino)methyl]benzene-1,2-diol and (E)-3-[(4-butylphenylimino)methyl]benzene-1,2-diol

Z. Keleşoğlu, B. Koşar, C. Albayrak, M. Odabaşoğlu and O. Büyükgüngör

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Crystal structure of 2-(4-bromophenylimino)methyl-3,5-dimethoxyphenol

I. Kiliç, F. Erşahin, E. Ağar and S. Işik

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Crystal structure and DFT calculations of two derivatives of phthalimide

S. Yazici, N. Turkoz, H. Kutuk, I. Senel and O. Buyukgungor

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The crystal structure of (E)-5-phenyl-N-(thiophen-2-ylmethylene)-1,3,4-thiadiazole-2-amine

G. Demirtaş, N. Dege, M. Şekerci, S. Servi and M. Dinçer

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Synthesis and characterizations of some new triazol-3-one derivatives

N. B. Arslan, C. Kazak, Y. Ünver and K. Sancak

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Experimental and DFT studies of N-2-methoxyphenyl-2-oxo-5-nitro-1-benzylidenemethylamine: in gas phase and solvent media

H. Tanak, M. Yavuz, O. Büyükgüngör, F. Erşahin and E. Ağar

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Hydrogen-bonding motifs, crystal structure of the polymeric chloride of tetrakis(3-aminobenzoato-O,O′) hexaquadichloride lanthanum(III) dihydrate La₂(H₂O)₈(C₇H₇NO₂)₄Cl₆

M. Benslimane and H. Merazig

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Synthesis, crystallographic structure and semiempirical studies of a novel complex of uranyl(VII)

A. A. Tek, O. Çelik, M. Ulusoy, N. O. İskeleli, E. Eroğlu and E. Taş

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Experimental and semi-empirical and DFT calculational studies on (E)-4-(2-((4-chlorophenylimino)methyl)phenoxy)phthalonitrile

M. Tüfekçi, G. Alpaslan, E. Ağar, F. Erşahin and A. Erdönmez

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Crystal structures of ferrocenyl-phosphazene derivatives

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

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Solid-state chemistry of tetrabromo- and tetrachlorosemiquinone radical anions

K. Molčanov and B. Kojić-Prodić

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Crystal structure of 2,4,4-tris(benzylsulfanyl)-1,1-dichloro-3-nitrobuta-1,3-diene

C. Sayil, G. Aydinli and C. Ibis

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NBO analysis - a useful tool on interpretation of results of crystal structure determination

E. Scholtzová, P. Mach and V. Langer

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Hindered rotation in N-(acyloxy)-4-methylthiazole-2(3H)-thiones

I. Svoboda, H. Fuess, U. Bergstraesser, S. Altermann and J. Hartung

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Methyl 3-((benzimidazol-4(7)-yl)amino)-2-cyanoprop-2-enoate - powder diffraction and DFT study

L'. Smrčok, R. Rizzi, P. Mach, M. Brunelli and V. Milata

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Synthesis, characterization and crystal packing geometry of 1,5-dihydro-2H-cyclopenta[1,2-b:5,4-b′]dipyridin-2-one

L. T. Yıldırım, A. Baysal, F. Durap and S. Ozkar

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Structural analysis of endo- and exo-benzocylcobutenonorbornene-dibromides by using ¹H, ¹³C NMR and X-ray diffraction techniques

E. Şahin, B. Anıl, A. Daştan and C. Kazaz

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Crystal structure of 1,1,3-trioxo-2,3-dihydro-1,2-benzisothiazol-2-ylmethyl 4-phenyl piperazine-1-carbodithioate, C₁₉H₁₉N₃O₃S₃

M. Akkurt, S. P. Yalçın, O. Güzel, A. Salman and O. Büyükgüngör

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Structural studies of molecular complexes of 4,4′-dinitrobiphenyl

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

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Study of the crystal structure of three synthetic insect pheromones using X-ray powder diffraction and DFT calculations

M. Brunelli, A. N. Fitch, L. Brooks and G. R. Jones

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Experimental and theoretical investigation of the molecular and electronic structure of N-cyclohexyl-2-[5-(4-pyridyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-ylsulfanyl]acetamide dihydrate

M. Dinçer, N. Özdemir, A. Çetin and T. Keser

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Bis(acesulfamato-κO⁴)diaquabis-(3-methylpyridine-κN)nickel(II)

N. Dege, H. İçbudak and E. Adıyaman

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Chemical bonding and electronic configuration of phosphido-bridged Mo and W complexes

I-J. Hsu, C.-R. Lee, H.-M. Lin, Y. Wang and S.-G. Shyu

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The molecular dipole moment of a nonlinear optical compound (m-nitrophenol)

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

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Crystal structure of 2-nitro-1,3,4,4-tetrachloro-1-mono(2-methylphenylthio)-1,3-butadiene compound

F. Ozkok and C. Ibis

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Crystal structure of 1-thiocarboxamide-3-methyl-4-ethanol-3-pyrazolin-5-one

Z. D. Tomic, Z. K. Jacimovic, G. Giester, A. Galani, V. Dokorou and D. K. Demertzi

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Calculation of the Raman spectra of the polymorphic forms of Y₂Si₂O₇

D. M. Többens, R. Kaindl and V. Kahlenberg

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Structure of di(4,4′,5,5′-tetramethyl-1,3-dithia-1′,3′-diselenafulvalene) tetrafluoroborate: (TMDTSDF)₂BF₄

M. Allal and O. Lahcen

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X-ray crystal structures of chiral spermine-bridged cyclophosphazenes

Y. Zorlu, G. Y. Çiftçi, S. J. Coles, M. B. Hursthouse, D. B. Davies, R. A. Shaw and A. Kılıç

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Synthesis, X-ray molecular structure, and computational study of (E)-2-[tris(hydroximethyl)methy]aminomethylen-4-methylphenol

G. O. Tarı, S. Işık, H. Tanak, F. Erşahin and E. Ağar

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Understanding the oxygen diffusion process in Ruddlesden-Popper phases at room temperature: the special case of La₂CoO_4+δ

L. Le Dréau, W. Paulus, J. Schefer and K Conder

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Synthesis, spectroscopic and structural characterization of bis(benzimidazole-κN³)bis(2-benzoylbenzoato-κO)copper(II)

Z. Heren, H. Paşaoğlu and M. H. Yıldırım

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Synthesis, spectrothermal and structural characterization of saccharinatobis(trishydroxymethylaminomethane)zinc(II) saccharinate complex, [Zn(sac)(tham)₂](sac)

H. Pasaoglu, Z. Heren, G. Kastas and K. Akdag

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Synthesis, structural characterization, thermal stability and physical properties of new hybrid compound: bis(3,4-dimethylanilinium) hexachlorostannate(IV)

S. Bouacida, R. Belhouas, H. Merazig and P. Bénard-Rocherullé

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Unexpected fragmentation of phenyldithiobenzoate, X-ray structure of [μ-η²]1,2-(dithio)-1,2(diphenylethylene)-di-iron hexacarbonyl complex

A. Mousser, H. Mousser and A. Darchen

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Is the chain length of diamine sufficient to span dialdehyde to form a macrocycle?

L. Noohinejad, S. A. Hosseini-Yazdi, M. Zeller, B. Massoumi and A. D. Hunter

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Polymorphism and isomorphism in silver coordination compounds

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Study of the interaction of T-shaped tricarboxylate ligands with copper(II) ions

A. B. Lago, L. Cañadillas-Delgado, M. Déniz, O. Fabelo, J. Pasán and C. Ruiz-Pérez

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Crystal structures of double oxygen-bridged tetranuclear and polynuclear metal complexes

D. Ülkü, C. Arıcı and O. Atakol

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Magnesium(II) phthalocyanine coordination compounds with 3,4- and 3,5-lutidines

V. Kinzhybalo and J. Janczak

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Spectroscopic and crystallographic characterization of bis(azido) cobalt(III) porphyrinates

B. B. H. Ali, M. S. Belkhiria, M. Giorgi and H. Nasri

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Extrusion/uptake of alcohols by silver carboxylate coordination networks

I. V. Yrezabal, H. Adams and L. Brammer

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Synthesis and structural characterization of new heteroleptic aluminium alkoxides and siloxides

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

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Double complex salts with [Ru(NH₃)₅Cl]²⁺ cation and [OsCl₆]²⁻ anion: synthesis and properties. Crystal structure of the [Ru(NH₃)₅Cl]₂[OsCl₆]Cl₂

I. Korolkov, S. Martynova, K. Yusenko and S. Korenev

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Heterobimetallic malonate-containing molecular compounds

L. Cañadillas-Delgado, F. S. Delgado-Trujillo, O. Fabelo, J. Pasán, J. Campo-Ruiz, G. McIntyre, Y. Rodríguez-Martín and C. Ruiz-Pérez

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Syntheses and crystal structures of two new tri-coordinate Cu(I) complexes with bidentate Schiff base ligands

H. Kargar, R. Kia and H.-K. Fun

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Magnetoresistance and magnetocaloric effect of the SmMn_2−xT_xGe₂ (T: Fe and Co; x = 0.05, 0.1 and 0.15) compound

Y. Elerman, I. Dincer and G. Sevgül

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Structure-magnetism relationship in mononuclear Co(II) complexes

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

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Structure of liquid crystalline mono-substituted ferrocene derivatives

N. Nakamura, K. Hiro and K. Uno

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Crystallochemical analysis of Pt-Re system

E. Shusharina, A. Zadesenets and S. Gromilov

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Copper (II) risedronate: the importance of structure validation on the correct solution

M. Rossi, B. Demoro, L. Otero, D. Gambino and F. Caruso

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Synthesis and crystal structure of [Fe(HL)(L)]Cl·CH₃CH₂OH·2H₂O (H₂L = pyridoxalsemicarbazone)

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Study of solid-state reaction in Pb(Zr,Ti)O₃ ceramics doped with (Fe²⁺, Ni²⁺, Sb³⁺) ions

C. Benhamidéche, H. Allal, A. Boutarfaia and S. E. Bouaoud

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Crystal structure of bipyridine type ligand LL = N,N′-bis-pyridin-2-ylmethylene-naphthalene-1,5-diamine

N. Akbarzadeh T. and A. R. Rezvani

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Crystal structures of μ-bridged trinuclear and polynuclear cadmium metal complexes

O. Atakol and D. Ülkü

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Synthesis and spectroscopic properties of a five-coordinate cyanato iron(II) 'picket fence' porphyrin complex

M. Dhifet, M. S. Belkhiria, J.-C. Daran and H. Nasri

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Solid-state preparation of palladium-carbene complexes

E. M. Mutambi, C. J. Adams and A. G. Orpen

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Preparation and structures of RCCo₃(CO)₆(triphos) clusters [R = Me, Ph, CO₂Et, Fc]

J. Simpson, C. J. McAdam, B. H. Robinson and R. G. Stanley

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Crystal structures of Ln₅O₄[AsO₃]₂Cl (Ln = Pr, Sm) and Ce₃O[AsO₃]₂Cl

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

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Molecular versus crystal properties in optically nonlinear 3-dinitrobenzene

G. Wójcik, I. Mossakowska, R. Zaleśny and W. Bartkowiak

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Charge-density study of a weak CH/π interaction of relevance in enantioselective catalysis

F. J. Lahoz, P. García-Orduña, E. Espinosa, S. Dahaoiu and P. Fertey

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Synthesis and structures of N,N-dialkyl-N′-(2-methylbenzoyl, 4-fluorobenzoyl)thiourea derivatives

G. Kavak, G. Binzet, N. Kulcu and S. Ozbey

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The influence of molecular dipoles on crystal packing of triacylmethanes

V. Stilinović and B. Kaitner

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The influence of fluorsubstitution on crystal packing of arenes

V. Vasylyeva and K. Merz

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Fruitful and fruitless resolution of N-(nitrobenzoyl)-DL-alanine by brucine

A. Białońska and Z. Ciunik

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Powder diffraction studies of the ferrocene@[Al(OH)(bdc)]_x and ferrocene@[VO(bdc)]_x

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

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Synthesis and crystal structure of [BaCu(H₂O)₄(OOC-C₆H₄-COOH)₂]_n

F. Balegroune, A. Benkanoun, A. Guehria-Laidoudi, S. Dahaoui and C. Lecomte

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Synthesis, structure characterization and hydrogen adsorption of a novel porous metal-organic framework, Mn₉(btt)₂(HCOO)₁₂, where btt = 1,3,5-benzenetristetrazolate

J.-H. Liao, W.-T. Chen and C.-S. Tsai

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Synthesis and structural characterization of Zn(II) metal-organics frameworks

J. Restrepo-Guisao, M. E. G Mosquera and P. Gomez-Sal

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Elucidation of crystallization steps in a new MOF based on magnesium

A. E. Platero-Prats, V. A. de la Peña-O'Shea, N. Snejko, A. Monge and E. Gutiérrez-Puebla

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A new Sc MOF built up from octadecasil zeolitic cages as heterogeneous catalyst

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

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Axial ligand removal and subsequent pillaring of a layered zinc dicarboxylate MOF

P. Smart, C. Mason, A. J. Florence and L. Brammer

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Structure influence on sorption properties in a dynamic metal-organic framework based on calcium

V. A. de la Peña-O'Shea, A. E. Platero-Prats, N. Snejko, A. Monge and E. Gutiérrez-Puebla

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Controlled growth of metal-organic frameworks (MOFs) on functionalized organic surfaces

F. Wieland, O. Shekhah, M. Paulus, C. Sterneman, M. Tolan and C. Wöll

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Crystal and electronic structure of apatite Me₁₀(PO₄)₆F₂; Me = Ca, Ba, Pb

F.-Z. Boujrhal, B. Sghir, H. Poellmann, E.-K. Hlil, A. Winiarski and R. C. El Moursli

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Structural characterization of two novel chiral Y(III)-MOFs

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

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The structure of rimonabant in the solid state

L. Menéndez-Taboada, S. García-Granda, M. Alvarado, I. Alkorta, P. Goya and J. Elguero

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Crystallographic study of diarylazoles related to rimonabant

L. Torre-Fernández, L. Menéndez-Taboada, S. García-Granda, M. Alvarado, I. Alkorta, P. Goya and J. Elguero

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New crystal forms of the antibiotic 4-aminosalicylic acid

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

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Crystal structures and theoretical investigations on DPPH radical-scavenging mechanism of new triazolymethyl benzimidazole derivatives

A. Karayel, S. Ozbey, G. Ayhan-Kilcigil and C. Kus

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Synthesis of new silver compounds with derivates of nicotinate acid

C. Inès and K. M. Fromm

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One instrument to answer to all your challenges? Cu/Mo, small crystals and more...

C. Wilson, M. Maeyama, K. Hasegawa and K. Aburaya

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Hydrogen bonding in flurbiprofen salts

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

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Fragment-based discovery of S100B inhibitors combining computational and biophysical approaches

S. Mangani, L. Cesari, M. Andreini, D. Lalli, R. del Conte, P. Turano, A. Padova and M. Agamennone

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Electronic structure of [RuCl₃(indazole)₂NO]

J. Kožíšek, M. Fronc, M. Breza, K. Schiessl and V. B. Arion

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Analysis of organic molecular compounds and pharmaceuticals from their X-ray powder diffraction patterns

P. Martinetto, M. Anne, P. Bordet, J. Linol, G. Coquerel, E. Dooryhée and P. Terech

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Crystal forms of trospium chloride

M. Hušák, M. Hájková, J. Čejka, M. Dušek and B. Kratochvíl

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Hydrogen bonding in spirohydantoin compounds

S. Boris and N. Rositsa

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Pair distribution studies on three polymorphs of paracetamol

C. A. Reiss and M. Gateshki

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Cu(II) complex with L(CH₃CH₂) (L = 1-thiocarboxamide-3-methyl-4-ethanol-3-pyrazolin-5-one)

Z. K. Jacimovic, Z. D. Tomic, G. Giester, A. Galani, V. Dokorou and D. Kovala Demertzi

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Structural characterization of drug/hydrotalcite nanocomposites

D. Viterbo, G. Croce, F. Carniato, E. Conterosito, M. Milanesio, L. Palin, V. Ambrogi and L. Perioli

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Topological analysis of MOFs with entanglements of 2-periodic structural groups

T. Mitina, V. Blatov, L. Carlucci, G. Ciani and D. Proserpio

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Local and global topology of two-dimensional structural groups

D. R. Khamitova, V. A. Blatov, L. Carlucci, G. Ciani and D. M. Proserpio

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Fluorine and crystals disorder

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

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Absolute configuration determination: is there more information in the data?

D. J. Watkin and A. L. Thompson

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The coordination mode of the carboxylate ligands in copper complexes

G. A. Bogdanović and S. B. Novaković

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Conformational analysis of bidentate tetra-aryl diphosphines

C. L. McMullin, N. Fey and A. G. Orpen

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New structures of old 2:1 and 3:1 ASN salts to quantify fertilizers

S. García-Granda and J. Montejo-Bernardo

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Group-subgroup relationships for metal-dioxide phases: from hettotypes up to archetypes

Y. E. Kitaev, M. I. Aroyo and A. G. Panfilov

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Bilbao Crystallographic Server: computer determination of non-characteristic orbits

M. I. Aroyo, D. Orobengoa and M. Nespolo

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van der Waals contacts retrieved from CSD. Should the histograms be weighted?

A. Oskarsson and C. Hansson

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Regularized reference intensity ratio method

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Ab initio calculations on complex rare earth transition metal borides

H. Orsini-Rosenberg, D. Jung and W. Steurer

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Structure ∊₁₆ solved by the strong reflections approach

M. Li, J. Sun, S. Hovmöller, X. Zou and G. Benjamin

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The crystallographic structure modeling of AsSJ and GeAsS by X-ray spectroscopy

A. A. Lavrentyev, B. V. Gabrelian, I. Ya. Nikiforov, L. E. Kosarenko and J. J. Rehr

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Phase observation of crystal structure factor by using rocking curves

R. Negishi, T. Fukamachi, M. Yoshizawa, K. Hirano, K. Hirano and T. Kawamura

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A further improved structure-matching algorithm

N. D. Brown, J. Haestier, M. Sadki, A. L. Thompson and D. J. Watkin

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OLEX2 news

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

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Harnessing the power of the cctbx with OLEX2

R. G. Gilde, L. Bourhis, O. Dolomanov, J. Howard and H. Puschmann

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CRYSTALS: refinement and validation tools

D. J. Watkin, R. I. Cooper and A. L. Thompson

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Handling of cell errors and their effect on derived parameters

J. Haestier, N. D. Brown, M. Sadki, A. L. Thompson and D. J. Watkin

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Improving the S-FFT algorithm for positive and negative density-function peaks

J. Rius and C. Frontera

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New modelling for disordered atoms in free-form based hybrid refinement and visual representation

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OLEX2: workflow and user experience

H. Puschmann, L. Bourhis, R. Gildea and O. Dolomanov

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The ambiguous solutions from different automatic structure solution programs

F. B. Kaynak and L. Eriksson

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Synthesis and Rietveld refinements of Ca-Cu hydroxyapatites

M. O. Masseoud, A. Aissa and M. Debbabi

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Testing different methods for crystal structure determination of alaptide from powder diffraction data

J. Rohlíček, M. Hušák and B. Kratochvíl

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Two new isotypes arsenate compounds of transition metals: A₃Nb₃WAs₂O₁₅ (A: Rb, Cs)

R. Belhouas, D. Mezaoui and H. Rebbah

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Crystal structures of six industrial benzimidazolone pigments from X-ray powder data

S. N. Ivashevskaya, J. van de Streek, M. U. Schmidt, J. Brüning and M. Ermrich

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In situ X-ray diffraction study of titanium sesquioxide

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Synthesis and crystal structures of the hole-doped oxychlorides (Ba,Sr)₂Cu₃O₄Cl₂

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Structure and microstructure of the solid solution LiTi_2−xSn_x(PO₄)₃ and the origin of unusual evolutions of the unit-cell constants of the Nasicon structures

N. Bounar and A. Benabbas

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Structural resolution of one lanthanide phosphonate family, combining monocrystal and powder diffraction data

E. Fernández-Zapico, J. Montejo, L. Roces, S. García-Granda, S. A. Khainakov, J. R. García, F.-Y. Liu and J. Rocha

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Polytypism, polymorphism and compositional faults in layered ternary and quaternary compounds

M. Kyazumov, L. Rustamova and M. Kazimov

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Two-level genetic algorithm for direct-space structure solution and refinement

Y. I. Yakimov, E. S. Semenkin and I. S. Yakimov

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Successful cryocooling of protein microcrystalline samples for powder diffraction

Y. Watier, I. Margiolaki, J. Wright, A. Fitch, M. Norrman and G. Schluckebier

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Two quinoline zirconium phosphate structures solved using powder charge flipping

D. Sisak, C. Baerlocher, L. McCusker, L. Liu and J. Dong

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High-throughput phase diagram mapping of urate oxidase via powder diffraction

I. Collings, S. Dagogo, Y. Watier, I. Margiolaki, A. N. Fitch, J. P. Wright, M. Giffard, F. Bonnete and R. Kahn

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Use of Rietveld method in quantitative analysis of weldments in duplex stainless steels

J. L. Garin, R. L. Mannheim and M. A. Camus

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Laboratory X-ray microdiffraction - limits and applications in forensic science

I. Jebavá, V. Goliáš and M. Kotrlý

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Preferred orientation and the structure analysis of polycrystalline materials

J. Grässlin, L. B. McCusker, C. Baerlocher, F. Gozzo and B. Schmitt

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Effects of the ferroelectric domain structure of PZT ceramics on powder diffraction

K. A. Schoenau, M. Knapp, M. Leoni and H. Fuess

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Structural phase transitions in nanoscaled systems with Jahn-Teller ions

S. Petrova, E. Vykhodets, R. Zakharov, M. Ivanov, N. Tkachev and A. Fishman

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Structure determination on asthmatic drugs by synchrotron powder diffraction

J.-J. Lee, S. Thamotharan, J. Jeyakanthan, R. Bansal and R. Yadav

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Study of the molecular and crystalline structure of three nitrogen-sulphur pro-ligands by X-ray powder diffraction and solid-state DFTB calculations

A. J. Mora, E. E. Ávila, G. E. Delgado, A. N. Fitch, M. Brunelli, R. R. Contrera and L. Rincón

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The D20 instrument at the ILL: a versatile high-intensity two-axis neutron diffractometer. Recent developments and future prospective

T. Hansen, H. E. Fischer, P. F. Henry, P. Convert, M. Brunelli and J. Torregrossa

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Crystal-structure prediction for ethyl-tert-butylether

S. M. Hammer, E. Alig, J. Glinnemann and M. U. Schmidt

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Structure refinement of kochsándorite, a basic double-carbonate mineral

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New high-temperature phases of the type M(Py)_nCl₂

E. Alig, L. Fink, T. Yeşilkaynak and N. Külcü

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Refinement of TLS matrices from powder diffraction data: application to naphthalene

I. Halasz and R. E. Dinnebier

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Substitution effects in some bismuth-based rare earth manganites

K. Krezhov, S. Kovachev, D. Kovacheva, E. Svab, F. Bourée and G. André

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Molecular and crystalline structures of three (s)-4-alkoxycarbonyl-2-azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data

L. E. Seijas, A. J. Mora, G. E. Delgado, F. Lopéz-Carrasquero, M. Brunelli and A. N. Fitch

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Solving crystal structures using symmetry-mode collective coordinates

D. Orobengoa, J. Rodriguez-Carvajal, J. M. Perez-Mato, M. I. Aroyo, A. Faik and J. M. Igartua

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Crystal structure and superconducting properties in YNi_2−xM_xB₂C (M = Al, Cr, Co)

A. Winiarski, A. Winiarska, A. Ślebarski, Z. Drzazga and A. Chełkowski

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Structural study of negative thermal expansion in yttrium and rare earth molybdates

C. González-Silgo, M. E. Torres, J. González-Platas, J. Campo, V. S. Fajardo, D. Lozano-Gorrín, C. Guzmán-Afonso and N. Sabalisck

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Crystal structures and properties of novel inorganic-organic materials

W. Łasocha, P. Putaj, A. Rafalska-Łasocha, B. Gaweł and W. Nitek

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Ba₂Ni₃ - a new phase in the binary system Ba-Ni

P. Höhn, S. Hoffmann and R. Kniep

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Crystal structures of the rare earth (RE) thioborates RE₆B_3.33S₁₄ (RE = Lu, Ho)

M. Borna, J. Hunger, D. Zahn, A. Ormeci and R. Kniep

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Powder diffraction and pair distribution function analysis by using multilayer X-ray optics and Ag radiation

R. Dietsch, Th. Holz and H. Borrmann

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FIDDLE: powder pattern indexing and structure solution hand in hand

J. Smits, C. Guguţă and R. de Gelder

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G-ROB, a six-axis robotic arm based automated system for crystallography

F. Borel, X. Vernede, J. Joly, P. Charrault, M. Pirocchi, F. Bouis, J. Quilez, G. Pages and J.-L. Ferrer

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X06DA, a versatile protein crystallography beamline at the Swiss Light Source

V. Olieric, M. Wang, R. Bingel-Erlenmeyer, R. Schneider, C. Pradervand, W. Glettig, T. Tomizaki, E. Panepucci, V. Thominet, J. Gabadinho, E. Zimoch, A. Isenegger and C. Schulze-Briese

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Compact multi-crystal analyzer and its applications to crystal structure analysis

H. Konaka, A. Sasaki and H. Toraya

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The precision of XRD apparatus can be assessed by accounting for secondary extinction of a single reflection

I. Tomov and S. Vassilev

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Macromolecular crystallographic studies and their relevance to SESAME

M. Aslantas, A. Aygan, E. Kendi, E. Şahin, C. Çelik and T. Büyükdemirkıran

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EMBL macromolecular crystallography beamlines @ PETRA3 - Hamburg Germany

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

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Crystals and beyond

S. I. Ben-Abraham

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Recent developments of multilayer optics for SAXS in the laboratory

N. Galatanu, S. Rodrigues, V. Roger and P. Panine

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SAXS/SANS structural analysis of human thrombomodulin domains

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

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S3-MICROpix: a high-efficiency SAXS system for the laboratory

P. Laggner, P. Herrnegger and M. Kriechbaum

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X-ray scattering and diffraction studies on spider silk cocoons

E. H. Soylu, S. Ide, T. Turkes, N. Kocatepe, O. Mergen and O. Celik

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Preparation and characterization of novel wood nanocomposites

S. Ide, E. H. Soylu, D. Rodoplu, S. Kucukyildiz, G. Sen, S. Aslan, S. Ozcan and M. M. Can

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Novel bone nanocomposites: preparation, FTIR and SWAXS analysis

S. Bayari, S. Ide, E. H. Soylu, D. Rodoplu, T. Vargı and A. Yoldas

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Structure investigation of individual GaAs nanorods by X-ray coherent diffraction imaging

A. Davydok, A. Biermanns, H. Paetzelt, J. Bauer, V. Gottschalch, U. Pietsch and T. H. Metzger

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High-efficiency core-shell nanowires and their characterisation by X-ray diffraction

O. Kurtuluş and U. Pietsch

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Preparation of the noble metals nanoalloys using single-source precursors

Y. Shubin, S. Korenev, A. Zadesenez, P. Plusnin and E. Filatov

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Pressure-induced phase transformations in the partially filled clathrate Rb_6.15Si₄₆

D. Machon, P. Toulemonde, P. F. McMillan, M. Amboage-Castro, A. Muñoz, P. Ródriguez-Fernández and A. San-Miguel

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Microstructure of Yb-substituted Y₂O₃ from HRTEM and X-ray diffraction approaches

B. Antic, A. Kremenovic, M. Vucinic-Vasic and A. S. Nikolic

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Effect of sign reversal by misorientation vector along block boundaries and its detection

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

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Synthesis of sillenite Bi₂₄AlO₃₉:As³⁺ nanocrystal by co-precipitation method

A. Alemi, A. Khandar and S. Hajibabaee

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Hydrothermal growth and characterization of boehmite (γ-AlOOH) nanoparticles

A. Khandar, A. Alemi and Z. Hoseinpour

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Dissolution of boron in diamond under high pressures: experimental evidences

N. Dubrovinskaia, R. Wirth, J. Wosnitza, T. Papageorgiou, H. F. Braun, N. Miyajima and L. Dubrovinsky

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High-pressure behaviour of inorganic oxide materials with Tl¹⁺ and Te⁴⁺ cations

A. Grzechnik and K. Friese

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Stability of xenon oxides and xenon silicates at high pressures

D. Y. Jung, A. R. Oganov and C. W. Glass

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Microfocus X-ray sources for short wavelength radiation

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

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Core ionization in compressed alkali and alkali earth metals

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A new allotropic modification of the cubic KOs₂O₆ pyrochlore

S. Katrych, Q. F. Gu, Z. Bukowski, N. D. Zhigadlo, G. Krauss and J. Karpinski

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A new mechanism of the insulator-metal transition in Mott-Hubbard insulators induced by spin crossover at high pressures

I. Lyubutin, S. Ovchinnikov, A. Gavriliuk and V. Struzhkin

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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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