(IUCr) Acta Crystallographica Section A Volume 37, Part a1, August 1981

Acta Cryst. (1981). A37, C1
https://doi.org/10.1107/S0108767381099492

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X-ray structural studies of icosahedral viruses

M. G. Rossmann

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Quantitative aspects of systematic crystal chemistry

W. B. Pearson

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Synchrotron radiation and anomalous dispersion

H. B. Stuhrmann

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Superspace groups in crystallography

A. Janner

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Flexibility and dynamics of protein structure

D. C. Phillips

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The renaissance of powder diffraction: from ugly duckling to beautiful swan

J. I. Langford

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Interactive computer graphics in structure analysis

W. V. Wright

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Use of lattice imaging in the study of minerals

N. Morimoto

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Crystallographic engineering

R. E. Newnham

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Mapping charge deformation densities

F. L. Hirshfeld

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Crystals, molecules and chemists

P. Murray-Rust

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Recent developments in crystal growth science

A. A. Chernov

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Refinement of biological macromolecular structures – an overview

J. L. Sussman

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Experiences in refinement with chain constraints in real space and energy restraints in reciprocal space

W. Steigemann

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Refinement of tRNA_f^Met: how to combine stereochemical information with low- and medium-resolution data

J. L. Sussman, A. D. Podjarny, R. W. Schevitz and P. B. Sigler

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Restrained least-squares refinement: a user's perspective

A. R. Sielecki

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Protein refinement in the advanced stages

W. A. Hendrickson and J. H. Konnert

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Joint refinement of macromolecular structures with X-ray and neutron single-crystal diffraction data

A. Wlodawer and W. A. Hendrickson

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Protein crystallographic computing in the UK – a collaborative project

D. Akrigg, T. N. Bhat, P. E. Bourne, J. W. Campbell, E. J. Dodson, M. Elder, P. Evans, J. R. Helliwell, P. A. Machin, D. S. Moss, I. J. Tickle, K. Wilson and A. J. Wonacott

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Crystallographic study on staphylococcal exfoliative toxin

C. S. Yoo, D. S. C. Yang, B. C. Wang and M. Sax

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Extraction of diffracted X-ray integrated intensities from weak protein data sets

J. Sygusch

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Macromolecular crystallography with an area detector using conventional and synchrotron radiation sources

R. Kahn, R. Fourme and R. Bosshard

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A method for fast and accurate collection of X-ray data from macromolecules

B. O. Söderberg

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The Mark II area X-ray diffractometer system

R. Hamlin, A. Howard, C. Nielsen, W. Vernon and Ng.-h. Xuong

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Software for a multiwire area-detector diffractometer

A. J. Howard, R. C. Hamlin, C. P. Nielsen and Ng.-h Xuong

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Protein structure determination by the single isomorphous replacement method with a phase selection and refinement process

B.-C. Wang

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Practical assessment of the feasibility of phasing protein structure amplitudes using anomalous scattering and partial structure information

L. Sjölin, J. L. Smith, A. Wlodawer and W. A. Hendrickson

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Iron-resolved anomalous phasing and local symmetry averaging in the structure solution of trimeric hemerythrin

J. L. Smith and W. A. Hendrickson

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Optimisation of the anomalous scattering of the platinum L_III absorption edge in the K₂Pt(CN)₄ heavy-atom derivative of single crystals of 6-phosphogluconate dehydrogenase from sheep liver and Bacillus stearothermophilus

J. R. Helliwell, T. J. Greenhough, P. D. Carr, M. J. Adams, A. Thompson, K. Bartels and H. H. Bartunik

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Molecular replacement studies on des-pentapeptide insulin

R.-c. Bi, S. Cutfield, E. J. Dodson, G. G. Dodson, F. Giordano and S. Tully

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Progress in the refinement of the structure of α-lytic protease at 1.8 Å resolution

M. Fujinaga, L. T. J. Delbaere and M. N. G. James

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Structure of ribonuclease A: X-ray and neutron refinement

A. Wlodawer, R. Bott and L. Sjölin

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Low-resolution (4.5 Å) refinement of the immunoglobulin J539 Fab fragment

G. H. Cohen

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X-ray crystallographic analysis of horse spleen apoferritin

P. E. Bourne, G. A. Clegg, P. M. Harrison, J. M. A. Smith and R. F. D. Stansfield

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Refinement of avian pancreatic polypeptide at 0.98 Å resolution

I. J. Tickle, I. D. Glover, J. E. Pitts, S. P. Wood and T. L. Blundell

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Fast Fourier refinement of the structure of hagfish insulin at 1.9 Å resolution

E. J. Dodson, G. G. Dodson and C. D. Reynolds

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Refinement of concanavalin A with the fast Fourier least-squares method

K. D. Hardman, R. C. Agarwal and M. Freiser

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Strategies for the least-squares refinement of protein structures

D. S. Moss, M. J. Stanford and G. J. Wistow

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Phase improvement by density modification in three large structures

R. W. Schevitz, A. D. Podjarny, M. Zwick, J. Hughes, E. M. Westbrook, D. Feldman and P. B. Sigler

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A computer procedure for extension of model electron density for density modification or for refinement purposes

T. N. Bhat and D. M. Blow

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On the phase extension and refinement of metmyoglobin using direct methods

G. J. Olthof and H. Schenk

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Refinement of the monoclinic hen egg white lysozyme at 2 Å resolution

S. T. Rao, J. Hogle and M. Sundaralingam

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Contrast variation studies in low-resolution neutron crystallography: an application to the nucleosome core particle

G. A. Bentley, J. T. Finch, A. Lewit-Bentley and M. Roth

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A single-crystal neutron diffraction study of sperm whale oxymyoglobin

S. E. V. Phillips

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The importance of refined structures to the understanding of enzyme function

M. N. G. James and A. R. Sielecki

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Conformational changes in enzyme catalysis

C.-I. Brändén

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Conformational changes during catalysis by mitochondrial aspartate aminotransferase

J. N. Jansonius, G. Eichele, G. C. Ford, J. F. Kirsch, D. Picot, C. Thaller, M. G. Vincent, P. Christen, H. Gehring and H. Kirsten

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Structural comparison of proteins

P. Argos

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The prediction of protein structure from amino acid sequence

M. J. E. Sternberg, F. E. Cohen and W. R. Taylor

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Some principles of protein structure

J. M. Thornton

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Water and protein folding

J. M. Goodfellow

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Lambda repressor

C. Pabo and M. Lewis

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The structure of the nuclesome and the folding of chromatin

A. Klug, J. T. Finch, R. S. Brown, D. Rhodes, T. Richmond, B. Rushton, L. C. Lutter and A. C. Bloomer

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Tobacco mosaic virus: interaction of the coat protein with nucleotides

A. C. Bloomer and G. J. Stubbs

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Structural studies of the Cro repressor protein from bacteriophage λ

B. W. Matthews, W. F. Anderson, D. H. Ohlendorf and Y. Takeda

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Structure of catabolite gene activator protein at 2.9 Å resolution suggests binding to left handed B-DNA

T. A. Steitz and D. B. McKay

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Refined structure of azotobacter ferredoxin (iron–sulfur protein III) at 2.0 Å resolution

C. D. Stout, D. Ghosh, W. Furey Jr and S. O. O'Donnell

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The structure of the influenza virus haemagglutinin glycoprotein at 3 Å resolution

I. A. Wilson, J. J. Skehel and D. C. Wiley

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The crystal structure of a protein proteinase inhibitor, plasminostreptin

M. Matsushima, N. Kamiya and H. Sugino

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Structure and function of presynaptic neurotoxins: notexin and notechis II-5

K. K. Kannan, H. Cid, M. Ramanadham, S. Sinh and S. Ramakumar

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The crystal and molecular structure of neurotoxins from scorpion venom

S. E. Ealick, R. J. Almassy, J. C. Fontecilla, F. L. Suddath and C. E. Bugg

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The relaxin structure

M. McCall, G. Dodson, E. Eliopoulos, N. Isaacs and H. Niall

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X-ray and computer graphics studies of polypeptide hormones and growth factors and their precursors

S. Bedarkar, T. L. Blundell, J. Gunning, J. E. Pitts, G. L. Taylor, I. J. Tickle and S. P. Wood

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Modelling structure and function in homologous proteins (membrane-active plant toxins)

M. M. Teeter and M. Whitlow

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Crystallographic studies of the 2Fe ferredoxin from Halobacterium of the Dead Sea

J. L. Sussman, M. Harel and A. Yonath

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The structure of the rubredoxin from Desulfovibrio gigas

M. Frey, G. Pepe, L. C. Sieker, M. Bruschi and J. Le Gall

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An interim report on the three-dimensional structure analysis of rabbit plasma transferrin

B. Gorinsky, P. F. Lindley, A. Mydin, D. Moss and J. Watson

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Inter-subunit interactions and metal binding sites in horse spleen apoferritin

P. E. Bourne, G. A. Clegg, P. M. Harrison, J. M. A. Smith and R. F. D. Stansfield

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Structure of the iron complex in hemerythrin

R. E. Stenkamp, L. C. Sieker and L. H. Jensen

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The Limulus II hemocyanin structure at 5.5 Å resolution

K. A. Magnus and W. E. Love

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Crystallographic studies of Mb:Cu(II) complex

F. E. Castellano, O. R. Nascimento and Y. P. Mascarenhas

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The reaction of ferric sperm whale myoglobin with imidazole: X-ray and binding study

M. Bolognesi, E. Cannillo, P. Ascenzi, M. Brunori, G. M. Giacometti and A. Merli

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X-ray crystal structure analyses of myoglobins reconstituted with synthetic hemes

K. Miki, Y. Li, M. Yukawa, A. Owatari, Y. Kai, N. Tanaka, N. Kasai, Y. Hata, M. Kakudo, Y. Katsube, K. Kawabe, Z. Yoshida, H. Ogoshi and T. Takano

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On the diffusion of small molecules in myoglobin and hemoglobin crystals

O. Baffa Filho, J. Ruggiero Neto, M. Tabak and O. R. Nascimento

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Structural studies on haemoglobin from the lanceolate fluke Dicrocoelium dendriticum

J. D. G. Smit

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Three-dimensional structures of phycobiliproteins

J. D. Conway, F. C. Tsui, N. E. Woods, R. G. Fisher, H. E. Fuchs and R. M. Sweet

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The structure and heme environment of beef liver catalase at 2.5 Å resolution

M. R. N. Murthy, T. J. Reid III, A. Sicignano, N. Tanaka, W. D. L. Musick and M. G. Rossmann

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Structure of catalase from Penicillium vitale at 3.0 Å resolution

B. K. Vainshtein, V. R. Melik-Adamyan, V. V. Barynin, A. A. Vagin and A. I. Grebenko

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The structure of cytochrome c3 from Desulfovibrio vulgaris Miyazaki at 2.5 Å resolution

Y. Higuchi, S. Bando, M. Kusunoki, Y. Matsuura, N. Yasuoka, M. Kakudo, T. Yamanaka, T. Yagi and H. Iinokuchi

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The structure of a bacterial cytochrome c₄ and its relation to other cytochromes

L. Sawyer, C. L. Jones, A. M. Damas, R. O. Gould and M. M. Harding

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Crystal structure determination of a DD-carboxypeptidase at 2.5 Å resolution

O. Dideberg and P. Charlier

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X-ray crystal structure of a penicillin target: Streptomyces R61 DD-transpeptidase-carboxypeptidase

J. A. Kelly, P. C. Moews and J. R. Knox

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Functional implications of carboxypeptidase A structures in native and liganded forms

D. C. Rees, M. Lewis and W. N. Lipscomb

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Toward an aspartic protease mechanism of action: inhibitor binding to the aspartic protease from Rhizopus chinensis at 2.5 Å

R. Bott, E. Subramanian and D. R. Davies

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High-resolution X-ray studies of the evolution, specificity and catalytic mechanism of acid proteinases

L. H. Pearl, H. B. Jones, G. L. Taylor and T. L. Blundell

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Crystal structure of porcine pepsinogen

S. N. Rao, S. N. Koszelak and J. A. Hartsuck

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A structural study of the elastase–elastatinal complex at 2.5 Å resolution

L. Presta, G. Cole and E. Meyer

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Crystal structure of Streptomyces erythraeus lysozome

R. Sarma, S. Harada, T. Ikenaka and S. Hara

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Structure of triclinic lysozyme and its Cu²⁺ complex at 2 Å resolution

M. Ramanadham, L. C. Sieker, L. H. Jensen and B. J. Birknes

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X-ray studies on the binding of bromophenol red and bromophenol blue to lysozyme

H. M. Krishna Murthy, M. Vijayan and S. Gurnani

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The structure of Taka-Amylase at 3.0 Å resolution and the D-Fourier studies of substrate binding sites

M. Kusunoki, W. Harada, N. Tanaka and M. Kakudo

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Porcine pancreatic α-amylase: crystal structure and binding sites

G. Buisson, E. Duee, R. Haser, F. Payan and N. Darbon

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Maltoheptaose binding to phosphorylase a at 0.25 nm resolution

E. Goldsmith, S. Sprang and R. J. Fletterick

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X-ray studies of activation/catalysis in glycogen phosphorylase a

S. R. Sprang and R. J. Fletterick

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Glycogen phosphorylase b: structure determination and refinement

D. I. Stuart, K. S. Wilson, E. A. Stura, D. L. Wild, J. A. Jenkins and L. N. Johnson

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Glycogen phosphorylase b: control and activity

K. S. Wilson, E. A. Stura, J. A. Jenkins, M. S. P. Sansom, D. I. Stuart and L. N. Johnson

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The structure of glucose-6-phosphate isomerase at 2.6 Å resolution

A. Achari, S. E. Marshall, H. Muirhead and P. J. Shaw

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Ribonuclease-A: least-squares refinement of the structure at 1.45 Å resolution

N. Borkakoti, D. S. Moss and R. A. Palmer

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The structures of apo- and holo-cytoplasmic malate dehydrogenase at high resolution

J. J. Birktoft, L. J. Banaszak and T. Meininger

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Conformational changes of alcohol dehydrogenase

H. Eklund and A. Jones

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The molecular structure of L-3-hydroxyacyl coenzyme A dehydrogenase

H. M. Holden and L. J. Banaszak

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Structural studies of ribulose bisphosphate carboxylase/oxygenase

W. W. Smith, S. W. Suh, D. Eisenberg, R. Hamlin, A. Howard, C. Nielsen and N. h. Xuong

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Tyrosyl-tRNA synthetase forms a nucleotide binding fold

P. Brick, T. N. Bhat and D. M. Blow

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Refinement of carbonic anhydrase isozymes B and C at 2 Å resolution

M. Ramanadham and K. K. Kannan

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The structure of lipase at 2.5 Å resolution

Y. Hata, N. Tanaka, M. Kakudo, A. Sugihara, M. Iwai and Y. Tsujisaka

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The 2.5 Å crystal structure of a dimeric phospholipase A₂ from the venom of Crotalus atrox

C. Keith, D. Feldman, S. Deganello, J. Glick, K. B. Ward, E. O. Jones and P. B. Sigler

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Structure of mitochondrial F₁-ATPase to 9 Å resolution

L. M. Amzel, P. Narayanan and P. L. Pedersen

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Crystallographic studies of neurophysindipeptide complexes

J. Rose, C. S. Yoo, W. Furey Jr, B. C. Wang, M. Sax and E. Breslow

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The 6 Å structure and biological activity of crystals of Δ⁵-3-ketosteroid isomerase

E. W. Westbrook, O. E. Piro and P. B. Sigler

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β-Lactoglobulin: a structure in search of a function

M. Z. Papiz and L. Sawyer

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The structure of γ-crystallin IIIb from calf lens

Yu. N. Chirgadze, Yu. V. Sergeev, N. P. Fomenkova, V. Yu. Lunin and A. G. Urzhumtsev

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The structure of bovine γ-crystallin II

T. L. Blundell, P. F. Lindley, L. R. Miller, D. S. Moss, C. Slingsby, I. J. Tickle, W. C. Turnell and G. J. Wistow

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Low-resolution structure of Pisum sativum agglutinin

E. J. Meehan Jr, H. Einspahr, F. L. Suddath and C. E. Bugg

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Structural prediction of sugar-binding proteins functional in chemotaxis and transport

P. Argos, W. C. Mahoney and M. A. Hermodson

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Thyroid hormone interactions with prealbumin

S. Oatley, J. Burridge, P. de la Paz and C. Blake

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Three-dimensional structure of actinoxanthin at 2.5 Å resolution

V. Z. Pletnev, A. P. Kuzin and S. D. Trakhanov

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The determination of the three-dimensional structure of trichosanthin at 4 Å resolution

Z. Xia, G. Tian, K. Pan, Y. Zhang, Y. Dong and S. Chen

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Comparison of the independent structures of α-chymotrypsin dimer at 1.8 Å resolution

M. A. Frentrup and A. Tulinsky

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Comparison of the structures of KDPG aldolase and triose phosphate isomerase

L. Lebioda, M. H. Hatada, I. Mavridis and A. Tulinsky

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Two analyses of protein structures. 1. The role of the amino and carboxy termini. 2. Salt bridges and the distribution of charged groups

J. Thornton and L. Chakauya

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Calculating molar volumes of proteins from atomic coordinates: problems of volume partitioning and water–protein interactions

B. J. Gellatly and J. L. Finney

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A new structure model for collagens

M. L. Huggins

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The crystal and molecular structure of a collagen-like polypeptide (Pro-Pro-Gly)₁₀

S. Arnott, M. Kakudo, K. Okuyama, K. Okuyama and M. Takayanagi

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X-ray diffraction study of Dead Sea Scrolls

W. Traub, S. Weiner, Z. Kustanovich and E. Gil-Av

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A study of microtubule self-assembly by means of time-resolved X-ray scattering

E. M. Mandelkow, E. Mandelkow and J. Bordas

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Two structures of yeast tRNA^Asp at 3 Å resolution

D. Moras, M. B. Comarmond, J. Fischer, R. Giegé and J. C. Thierry

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The crystal structure of yeast tRNA^Phe in the cubic form

J. K. Nachman, J. L. Sussman, R. W. Warrant and S. H. Kim

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Crystallographic studies of metal binding to transfer RNA

J. R. Rubin and M. Sundaralingam

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Polymorphism in DNA–RNA hybrids

S. Arnott, R. Chandrasekaran, A. Banerjee, A. G. W. Leslie and E. C. Selsing

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Crystallographic analysis of EcoRI endonuclease–DNA complex

J. M. Rosenberg, J. Grable, C. Frederick, P. Greene, K. Itakura, H. Drew and R. Crea

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Structure of the bacteriophage lambda Cro repressor: model for protein–DNA interactions

W. F. Anderson, D. H. Ohlendorf, Y. Takeda and B. W. Matthews

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Co-crystallization of repressor and operator fragments from bacteriophage lambda

C. Pabo, J. Wang, A. Jeffrey and K. Itakura

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The X-ray crystal structure of swollen tomato bushy stunt virus

I. K. Robinson and S. C. Harrison

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The structure of satellite tobacco necrosis virus

K. Fridborg, T. A. Jones, L. Liljas, S. Lövgren, U. Skoglund, B. Strandberg and T. Unge

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Crystallization of cowpea chlorotic mottle virus and belladonna mottle virus

K. Heuss, J. K. Mohana Rao and P. Argos

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Optical diffraction and computer-generated Fourier transform studies of particles of the Potex group of viruses

P. Tollin, J. B. Bancroft and J. F. Richardson

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Neutron scattering studies of histone complexes

R. D. Carlson and T. H. Kelley

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Crystalline arrays of large ribosomal subunits from E. coli produced in vitro

M. W. Clark and J. A. Lake

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Molecular conformation and packing of membrane lipids

S. Abrahamsson, I. Pascher and S. Sundell

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Porin (matrix protein) from E. coli structure of two-dimensional crystalline sheets by electron microscopy and electron diffraction

D. L. Dorset, A. Engel and J. P. Rosenbusch

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The conformation of the first segments in the fatty acyl chains of 3-SN and 2-SN phospholipids

G. Büldt, J. Seelig and G. H. de Haas

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Molecular conformation of dimyristoyl lecithin (dihydrate)

R. H. Pearson

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Low-resolution X-ray structural study of lecithin bilayers with incorporated aromatic hydrocarbons

I. L. Torriani and R. Z. dos Santos

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DTA and X-ray study of dry phosphatidyldipalmitoyl choline

J. Doucet, N. Albon, A. M. Levelut and M. Lambert

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Co-crystals of gramicidin and phosphatidylcholine: a system for studying ion-channel structure and lipid–protein interactions

M. R. Kimball and B. A. Wallace

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Insulin structure at 1.1 Å resolution and its dynamic behavior with anisotropic temperature factors

N. Sakabe, K. Sasaki and K. Sakabe

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Investigations on the disordered activation domain in trypsinogen by chemical labelling and low-temperature crystallography

J. Walter and W. Steigemann

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Low-temperature studies of elastase

N.-h. Xuong, C. Cork, R. Hamlin, A. Howard, B. Katz, P. Kuttner and C. Nielsen

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Dynamical properties of proteins by hydrogen exchange and neutron diffraction

A. A. Kossiakoff and S. A. Spencer

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Time-resolved study of dynamics in proteins using synchrotron radiation and laser excitation

H. D. Bartunik, E. Jerzembek, D. Pruss, G. Huber and H. C. Watson

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Circular hydrogen bonds

W. Saenger

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Water molecule–β-cyclodextrin interactions

K. H. Jogun, J. M. Maclennan and J. J. Stezowski

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Neutron diffraction of β-cyclodextrin water inclusion complex: an analysis of H-bonds and water structure in a hydrophobic cavity

B. Hingerty, G. M. Brown, K. Lindner and W. Saenger

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Computer simulation of solvent structure around biomolecules

J. M. Goodfellow, J. L. Finney and P. Barnes

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Water structure around vitamin B₁₂ coenzyme: a characterisation by neutron/X-ray diffraction and computer simulation

H. F. J. Savage, J. L. Finney, P. F. Lindley and P. Barnes

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Difference Fourier refinement of crystal structure of insulin

D.-c. Liang, D.-c. Wang, J.-b. Dai and W.-r. Chang

CCDC reference: 1105110

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Water structure in rhombohedral 2 zinc insulin crystal at 1.1 Å resolution

K. Sakabe, K. Sasaki and N. Sakabe

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Structure of bound water in crystals of metmyoglobin from neutron diffraction data

N. V. Raghavan and B. P. Schoenborn

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Intercalation of water molecules between nucleic acid bases: crystal and molecular structure of 6-azathymine hemihydrate

T. Srikrishnan and R. Parthasarathy

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Drug–nucleic acid complexes: an overview

H. N. Berman

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Aspects of cyclic and linear oligopeptides

I. L. Karle

CCDC reference: 1150266

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Steroid structure, protein binding and biological activity

W. L. Duax, J. F. Griffin, D. C. Rohrer and C. M. Weeks

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A crystallographic comparison of some catecholamines with a catecholestrogen

D. C. Swenson, W. L. Duax, P. D. Strong, J. Weisz and M. S. Hershey

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Structure–activity relationships in brassino steroids

J. L. Flippen-Anderson and R. Gilardi

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Crystal structure and conformation of 2′-fluoro-5-iodo-arabinofuranosylcytosine

G. I. Birnbaum, M. Cygler, K. A. Watanabe and J. J. Fox

CCDC references: 1127417; 1127418

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Synthetic models related to DNA-intercalating molecules: the crystal and molecular structure of chloro-quinoline-propyl-adenine and 8-butoxy-psoralen-thymine

C. Courseille, G. Bravic, J. P. Bideau, J. Lhomme and J. L. Decout

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Anti-cancer agents: structures of ICRF-159, the chiral stereoisomer SCRF, and cis and trans fixed conformation analogues

A. Hempel, N. Camerman and A. Camerman

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Molecular structure of a quinazoline analog of aminopterin

D. Mastropaolo, H. W. Smith, A. Camerman and N. Camerman

CCDC references: 1179594; 1179596; 1179598; 1179600

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Comparison of the binding of trimethoprim and trimethoprim analogues to bacterial dihydrofolate reductase

D. J. Baker, C. R. Beddell, J. N. Champness, P. J. Goodford, F. E. Norrington, B. Roth and D. K. Stammers

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Structure–function relationships among 2,4-diaminopyrimidine antifolates

V. Cody

CCDC references: 1211115; 1211117; 1211119

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Structure–potency relationships for the 2,3-dimethyl analogs of the promedol alcohols

M. Cygler, F. R. Ahmed, A. F. Casy and F. O. Ogungbamila

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Geometric and electronic factors in the structure–activity relationships of some 5-phenyl-1,4-benzodiazepines

P. Chananont, T. A. Hamor and I. L. Martin

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Structural studies of some new tricyclic drugs

P. Luger

CCDC reference: 1234361

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Crystal and molecular structure of sintamil [10-(3-dimethylaminopropyl)-2-nitrodibenz[b,f][1,4]oxazepin-11(10H)-one (2)hydrochloride]

R. Usha, M. M. Bhadbhade, K. Venkatesan and K. Nagarajan

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Conformation analysis of neuroleptics like phenothiazine (diphenylsulphur derivatives)

P. Marsau, M. Alléaume, Y. Barrans and M. Cotrait

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Structural models for the action of aconitine on sodium channels

P. W. Codding

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Bestatin: a crystal and molecular structure

J. Ricci, A. Bousvaros, A. Taylor and H. Umezawa

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Structural studies on carcinogenic polycyclic aromatic hydrocarbons and their active metabolites; some insights into modes of action

S. Neidle, A. Subbiah, S. Islam and S. D. Cutbush

CCDC references: 1232563; 1232565

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Conformational studies of halogenated bisphenols in relation to flukicidal activity

D. G. Hay, M. F. Mackay and A. C. Sindt-Josem

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Crystal structure and conformation of 8-bromo-9-β-D-xylofuranosyladenine hydrate

G. I. Birnbaum, M. Cygler, I. Ekiel and D. Shugar

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Structure and conformation of a thymidine analog: 4-(2-deoxy-β-D-erythro-pentafuranosyl)-6-methyl-3-oxo-1,2,4-triazine 1-oxide

M. I. Główka, E. Parthasarathy and M. Bobek

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The crystal structure of ammonium deoxycytidyl-(3′,5′)-deoxyguanosine trihydrate

W. B. T. Cruse, E. Egert and O. Kennard

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Inference of protonation sites in nucleotide structure analysis

R. Taylor and O. Kennard

CCDC reference: 1101235

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A crystal structure containing the N(7)-H isomer of adenine

M. R. Taylor and J. A. Westphalen

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Complexes of the Ag⁺ and CH₃Hg⁺ ions with methyl derivatives of cytosine, thymine and hypoxanthine

A. L. Beauchamp, F. Bélanger-Gariépy, J.-P. Charland, F. Guay and M. Simard

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Restriction of peptide conformation by α-methyl substitution

P. Van Roey, G. D. Smith, W. L. Duax, T. M. Balasubramanian and G. R. Marshall

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Influence de l'hydratation sur le repliement β

A. Aubry, J. Protas, G. Boussard, B. Vitoux and M. Marraud

CCDC references: 1104972; 1104974

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X-ray studies of amino acid–vitamin interactions. The crystal structure of lysine pantothenate

D. M. Salunke and M. Vijayan

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Crystal structures of 4-nitro-L-histidine and N^(α)-acetyl-4-nitro-L-histidine

X. Solans and M. Font-Altaba

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Crystal structure of glycine orthophosphate

J. K. Mohana Rao and R. Thulasidhass

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Studies on conformation of prolyl residue in peptides: the crystal and molecular structure of L-prolyl-L-methionine monohydrate

V. S. Yadava and V. M. Padmanabhan

CCDC reference: 1102502

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Crystal structure of N-(p-aminobenzoyl)-L-glutamic acid hydrochloride

C. Chatterjee, J. K. Dattagupta and N. N. Saha

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The X-ray analysis of human ACTH fragments

G. Précigoux, B. Busetta, S. Georffre and M. Hospital

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The crystal structures of ACTH 4-10 and ACTH 4-7

G. Admiraal, A. B. Verweij and A. Vos

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The crystal and molecular structure of the siderophore ferric pseudobactin

M. B. Hossain, C. L. Barnes, R. van der Helm, M. Teintze and J. Leong

CCDC reference: 1211699

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The X-ray structure of an undecapeptide helix-model of alamethicin: α- or 3₁₀-helix?

T. Butters, P. Hütter, G. Jung, N. Pauls, H. Schmitt, W. Winter and G. M. Sheldrick

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Cyclic dipeptides containing arylmethyl side chains. Conformation and structure of cyclo(N-methyl-L-α-aminobutyryl-L-phenylalanyl) and cyclo(L-phenylalanyl-L-phenylalanyl)

M. Gdaniec

CCDC reference: 1105806

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Crystal and molecular structure of a ten-membered cyclodepsitripeptide

G. Lucente, F. Pinnen, G. Zanotti, W. Fedeli, S. Cerrini, E. Gavuzzo and F. Mazza

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The structure of the 1:1 mixture of cyclo(L-Ala-L-Pro-L-Phe-L-Pro) and cyclo(L-Ala-L-Pro-D-Phe-L-Pro)

C. C. Chiang and I. L. Karle

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Cyclo(L-prolylglycyl)₃·DMF complex

K. I. Varughese, S. Aimoto and G. Kartha

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A magnesium complex of cyclo(Pro-Gly)₃

G. Kartha, S. Aimoto and K. I. Varughese

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Crystal structure of DL-N-Ethylnorphenylephrine hydrochloride

R. R. Pattanayek, J. K. Dattagupta and N. N. Saha

CCDC reference: 1102354

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The crystal and molecular structure of an α-adrenergic agonist – naphazoline hydrochloride

A. Podder, J. K. Dattagupta and N. N. Saha

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The crystal and molecular structure of pyrazine-2-carboxyamide

R. K. Tiwari, T. C. Patel and T. P. Singh

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Crystal and molecular structures of several morpholino ethylamino pyridazines

G. Evrard, A. Michel and F. Durant

CCDC reference: 1216823

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Crystal structures of two pteridines with diuretic and antifolate activity

C. H. Schwalbe and G. J. B. Williams

CCDC references: 1131612; 1131613; 1131614

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The crystal structures of (S) and (R) baclofen and carbamazepine

C.-H. Chang, D. S. C. Yang, C. S. Yoo, B.-c. Wang, J. Pletcher and M. Sax

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Crystal studies of dibenzooxadiazanine derivatives

A. Ste¸pień, E. Wajsman and R. Glinka

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The crystal and molecular structure of (3S,6S)-6-methyl-5-oxo-thiomorpholin-3-carbonyl-L-His-L-Pro-NH₂

E. Eckle and J. J. Stezowski

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The crystal structure of sulpiride, an anti-psychotic agent

L. Y. Y. Chan, N. Camerman and A. Camerman

CCDC references: 1240593; 1264257

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The crystal structure of free base cocaine, C₁₇H₂₁NO₄

R. D. Hrynchuk, R. J. Barton and B. E. Robertson

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Crystal packing of strychnine salts

A. Cleasby, R. O. Gould, N. Moulden and M. D. Walkinshaw

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Side-chain conformation in 18-deoxyaldosterone C₂₁H₂₈O₄

J. F. Griffin, W. L. Duax, P. D. Strong, J. W. Funder and S. Ulick

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The crystal structure of the catechol estrogen 2-hydroxyestrone

K. D. Onan, S. K. Panda, D. Cecchini, S. C. Chattoraj and T. F. Brennan

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The crystal structure of 17-thia-3-methoxyestra-1,3,5(10)-triene-17-dioxide

V. M. Padmanabhan and S. Sinh

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The crystal structure of diethylammonium 2,5-dihydroxy-benzen-1,4-disulphonate

X. Solans, F. Plana and M. Font-Altaba

CCDC reference: 1143006

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The crystal structure of antimicrobial products: hexadecyltrimethyl ammonium bromide and iodide

J. M. Grochowski

CCDC reference: 1122963

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Structure and conformation of some polyketides from the patulin pathway

K. A. Kerr and P. W. Codding

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Highly oxodised peptidic antibiotic: crystal conformation of siomycin-A

C. Pascard and T. Prangé

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The crystal and molecular structure of the ternary complexes with ionophoric antibiotics, Rb⁺ cation and uncoupler

Y. Nishibata, A. Itai, Y. Iitaka and Y. Nawata

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X-ray crystallographic and NMR studies on barium–valinomycin complexes

S. Devarajan, C. M. K. Nair, K. B. K. Easwaran and M. Vijayan

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The structure of the antifungal antibiotic rapamycin

P. S. White and D. C. N. Swindells

CCDC reference: 1259680

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Phase transition and 37°C crystal structure of cholesterol

L.-Y. Hsu and C. E. Nordman

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Cholesteryl esters: crystal and liquid crystalline structures

P. Sawzik and B. M. Craven

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Crystal structure of the 2:1 complex between deoxycholic acid and D-camphor

J. G. Jones, S. Schwarzbaum and L. Lessinger

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Crystal structure of thiamin methyl acetyl-phosphonate

J. Pletcher, A. Turano, W. Furey, M. Sax and R. Kluger

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The crystal structure of thiamine dinitrate

D. S. C. Yang, C. S. Yoo, W. Furey Jr, B. C. Wang, J. Pletcher and M. Sax

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The structures relevant to polycyclic aromatic hydrocarbon carcinogenesis

J. P. Glusker, H. L. Carrell and D. K. Zacharias

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Crystal structure of a building unit of the Forssman antigen

K. Vangehr, P. Luger and H. Paulsen

CCDC reference: 1270526

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Model compounds for enzyme–substrate interactions

C. P. Huber, P. R. Carey and D. J. Phelps

CCDC references: 1208916; 1208918

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Crystallographic studies on the interaction of alkali and alkaline earth metal salts with peptides

P. Chakrabarti, K. Venkatesan and C. N. R. Rao

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The structure and absolute configuration of three ajugareptansones

C. Miravitlles, X. Solans, G. Germain and J. P. Declerq

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Recent developments in reaction path studies

H. B. Bürgi

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Molecular interactions in host–guest complexes

K. N. Trueblood

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High-resolution NMR studies of crystalline organic solids

C. A. Fyfe

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New solid-state reactions of transition metal complexes

B. M. Foxman

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Solid-state polymerization of diacetylenes

V. Enkelmann

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How to pack spheres densely and how to stuff their octahedral and tetrahedral interstices

W. H. Baur

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Ab initio molecular orbital versus low-temperature neutron diffraction molecular structures for some organic molecules

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Structural and energetical properties of some strained hydrocarbons useful for calibrating molecular force fields

O. Ermer

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Structural characteristics of the carboxylic ester group

W. B. Schweizer and J. D. Dunitz

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Geometry of the >N⁺=C< moiety: structures of five related iminium salts

T. G. D. van Schalkwyk

CCDC references: 1105145; 1105147

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Conformations of seven-membered rings: a Fourier transform analysis

F. H. Cano, C. Foces-Foces and S. García-Blanco

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Flexibility of the porphyrin ring

P. Murray-Rust and C. Kratky

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Intramolecular potential functions from observed crystal structures: 1,8-diphenylnaphthalene, 1,8-diphenylacenaphthene and 1,4,5,8-tetraphenylnaphthalene

W. R. Busing

CCDC references: 1104744; 1104746; 1104748; 1104750

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Classification scheme for aromatic 'solvates' in ionic organometallic compounds

J. L. Atwood, R. D. Rogers, D. C. Hrncir, M. J. Zaworotko and W. E. Hunter

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Influence of crystallographic transformations on the chemical reactivity of iron oxides during gaseous reduction

J. Heizmann, P. Becker, J. Bessières and A. Bessières

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Transformations affecting MgCl₂·6H₂O on MgO substrates

P. Bardhan

CCDC references: 1127700; 1127702

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Intermediates in the synthesis of biologically active terpenoids. Crystal structure of Diels–Alder adducts of o- and p-benzoquinones

A. Mugnoli, A. Moretto, F. Orsini and F. Pelizzoni

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Interactions of nucleophiles with quaternary phosphonium centres. Structure of benzyltriphenylphosphonium iodide and structural correlation of related systems

S. J. Archer, T. A. Modro and L. R. Nassimbeni

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Rotation around the C(sp²)—N(sp³) bond and nitrogen pyramidalization

G. Gilli and V. Bertolasi

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Solid state photochemistry of naphthoquinones

J. R. Scheffer, A. J. Secco and J. Trotter

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Evidence for proton transfers in the solid state

R. B. Wilson, D. Y. Curtin and I. C. Paul

CCDC reference: 1106023

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The photodimerization of cyclohepta[d,e]naphthalene. A solid-state reaction

A. C. Hazell and J. Wirz

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A crystallographic study of the solid-state photodimerization of 7-methoxy coumarin

N. Ramasubbu, T. N. Guru Row, V. Ramamurthy, K. Venkatesan and C. N. R. Rao

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Simultaneous double N-inversion in the solid state?

N. Kaftory

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Solid-state isomerisation of O-acetylsalicylamide to N-acetylsalicyamide. An X-ray crystallographic study of the isomers

V. Mohan Rao and H. Manohar

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The crystal structures of N-salicylideneanilines and their chromotropic properties

S. V. Lindeman, V. E. Shklover and Yu. T. Struchkov

CCDC references: 1104808; 1104811

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Evidence for a trapped reaction intermediate in the crystal of p-n-propoxycinnanic acid

R. F. Bryan

CCDC references: 1149654; 1149657

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Crystalline-state racemization of cobaloxime complexes by X-ray exposure. IV. [(S)-1-cyanoethyl][pyridine]cobaloxime

Y. Ohashi, K. Yanagi, Y. Sasada and Y. Ohgo

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Crystalline-state racemization of cobaloxime complexes by X-ray exposure. V. Experiments at high temperatures and a new type of racemization

Y. Ohashi, T. Kurihara, Y. Sasada and Y. Ohgo

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Topotactically related Cd(en)_xNi(CN)₄ complexes

G. B. Jameson, W. Bachmann, H. R. Oswald and E. Dubler

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Copper species within zeolite A

H. S. Lee and K. Seff

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Dehydration reaction mechanisms in some layered mineral calcium arsenates

M. Catti and G. Ivaldi

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Studies of structures and reaction rates in the system Y₂O₃–YFeO₃–Y₃Fe₅O₁₂–Fe₂O₃

U. Wolfmeier and W. Gunsser

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Solid-state reactions – observation and recording in real time

C. E. Warble

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Structures of the 1:1 complexes of 18-crown-6 with hydrazinium perchlorate, hydroxylammonium perchlorate and methylammonium perchlorate

K. N. Trueblood, C. B. Knobler, D. S. Lawrence and R. V. Stevens

CCDC references: 1131594; 1131596; 1131598

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Structural studies of host–guest complexes: spherands and hemispherands

R. C. Helgeson, I. Dicker, G. M. Lein, D. J. Cram, E. F. Maverick, C. B. Knobler and K. N. Trueblood

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The structures and stabilities of guest molecules in host–guest inclusion complexes

A. Itai, Y. Ikeda, A. Watanabe, K. Odashima, K. Koga and Y. Iitaka

CCDC references: 1105133; 1105135; 1105817

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Tri-O-thymotide clathrates: a conformational approach to the chiral recognition of guest molecules

R. Gerdil, J. Allemand and G. Bernardinelli

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Chiral discrimination in molecular and crystalline systems

R. Arad Yellin, B. S. Green, M. Knossow, G. le Bas, C. de Rango, G. Tsoucaris and F. Villain

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Nucleic acid–drug interactions: model studies. The crystal structure of salicylic acid–9-Me-adenine, salicyclic acid–2-amino-pyridine and salicylic acid–urea complexes

R. W. Gellert and I.-N. Hsu

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Observation and prediction of short-range order in disordered molecular crystals

T. R. Welberry and J. Epstein

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The influence of intermolecular forces in crystal lattice on molecular structure of organic compounds

A. Katrusiak and Z. Kałuski

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Packing analyses on organometallic compounds

H. Preut and H.-J. Haupt

CCDC references: 1260659; 1260661; 1260663

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Energy analyses for the alkaline-earth formates

M. Matsui and T. Watanabé

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Potential-energy calculations in crystals: carbon dioxide, CO₂, and 9,10-anthraquinone, C₁₄H₈O₂

K. Mirsky

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Intermolecular potential function for crystalline halogens

G. B. Carpenter and W. R. Busing

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Lattice-dynamical evaluation of internal mode contributions to temperature factors for a series of hydrocarbons: a systematic approach

C. M. Gramaccioli and G. Filippini

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Hydrogen correlation functions in Ih ice

J. Schneider

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Hydrogen bonds between water and sulfur in salt hydrates

A. Preisinger, K. Mereiter and W. Mikenda

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X-ray and neutron diffraction studies of the hydrogen bonding in hydroxybenzophenones

E. O. Schlemper, M. S. Hussain and F. Ross

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The crystal structure of the addition compound of fluorosilicic acid with urea

Z.-Y. Zhang, M.-C. Shao, X.-J. Xu, Y.-C. Tang and Y.-Q. Tu

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Hydrogen bonding in (NH₄)₂TiF₆

Z. Tun and I. D. Brown

CCDC reference: 1104799

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Crystal structure of hydrogenbis(pyridine-N-oxide)tetrachloroaurate(III) revealing a short hydrogen bond

M. Sakhawat Hussain and E. O. Schlemper

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Structural studies of phase transitions

R. J. Nelmes

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Ferroelastic phase transitions

V. K. Wadhawan

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High-pressure induced commensurability effects on the Peierls transitions in an organic metal: TTF–TCNQ

S. Megtert, C. Vettier, R. Pynn and R. Comès

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Transitions between phases which have no group–subgroup relationship

P. Toledano

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A variational approach to short-range order intensity

J. M. Sanchez and D. de Fontaine

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The use of group theory for calculating the configurational entropy in the cluster variation approximation

D. Gratias, J. M. Sanchez and D. de Fontaine

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Crystal structure of β-O₂ at 298 K and 68 Kbar

H. d'Amour, W. B. Holzapfel and M. Nicol

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Disorder and phase transition in cobalt

F. Frey and H. Boysen

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The kinetics of pressure-induced transformation in titanium

A. K. Singh, M. Mohan and C. Divakar

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Structure relationships in americium metal

R. B. Roof

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On the decomposition of a Ni–12.5at.%Al alloy

J. E. Epperson, J. Faber, J. S. Lin and R. W. Hendricks

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The lattice parameter of Cu₂NiZn

W. H. M. Van der Vegt, G. J. L. Van der Wegen, P. M. Bronsveld and J. Th. M. De Hosson

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Hydrogen-induced structural changes in austenitic stainless steels

A. Szummer and A. Janko

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The influence of martensite reheating rate on the shape memory effect

Z. Bojarski, H. Morawiec and P. Matyja

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Martensitic and alternative mechanisms of change of first coordination in MnS and NH₄Br

S. W. Kennedy, W. L. Fraser and E. Summerville

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Phase transitions in n-decylammoniumchloride

K. J. Schenk and G. Chapuis

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Structural study of the phase transition in (NH₄)₂CuCl₄·2H₂O

S. Bhakay-Tamhane and E. J. Gabe

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The modulated structure of γ-PAMC

W. Depmeier

CCDC references: 1105443; 1105444; 1105445; 1135980

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Phase transitions in (C_nH_2n+1NH₃)₂ZnCl₄

F. J. Zuniga and G. Chapuis

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Duplex character of defect zinc blende structure of α and γ Ga₂Se₃

S. Z. Ali and M. Y. Khan

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High-temperature investigations of magnetite (Fe₃O₄)

N. Tzafaras, W. Adlhart and H. Jagodzinski

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Critical neutron scattering in the 3-d Ising metamagnet DyPO₄

A. H. Millhouse, H. Dachs and M. Steiner

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Hexagonal perovskites of the LnMnO₃ type

W. Sikora and V. N. Syromiatnikov

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On the orientational relaxation of complex ions and the high-temperature ferroelectric phases of poly- and monocrystalline KNO₃

R. Kamel and Y. A. Badr

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Tetragonal to cubic phase transition studies on silver chlorate

S. V. Suryanarayana and V. Deshpande

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Thermal vibrations in barium titanate

K. H. Ehses, H. Bock and K. Fischer

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Incommensurate phases of Rb₂WO₄ and related compounds

F. Tuinstra and A. J. van den Berg

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Polymorphism in thallium(I) thiocyanate

R. Lippman and R. Rudman

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Pressure-induced structural transformation in rare-earth formates

K. Satyanarayana Murthy, P. Kistaiah, L. Iyengar and K. V. Krishna Rao

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Thermal disorder in the cooperative Jahn–Teller effect: tetragonal–cubic transition in Mn₃O₄

T. Yamanaka and R. Sadanaga

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Structural properties of shock-loaded lithium niobate

B. Morosin and R. A. Graham

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Optical birefringence studies of ferroic crystals using modulation methods

I. C. Wood and A. M. Glazer

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Polymorphism in K₂SO₄

Y. A. Badr, G. Said, F. El-Kabbany and S. Taha

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X-ray and neutron study of LiKSO₄ at room temperature – search for disorder

S. Bhakay-Tamhane, A. Sequeira and R. Chidambaram

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The electrical properties of single-crystal KLiSO₄

Y. Zhu, D.-f. Zhang and Xu Z.-y.

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Low-temperature phase transition in LiCsSO₄

P. E. Tomaszewski, A. Pietraszko and K. Łukaszewicz

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The phase transition and the domain structure for mixed crystals Cs_xRb_1−xLiSO₄

A. Pietraszko

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Unlimited solubility between α-Na₂CO₃ and Na₂SO₄I structures

B. N. Mehrotra

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On the low-temperature phase transition in (NH₄)₂SO₄

Y. A. Badr, G. Said, M. Mikhail and S. Awad

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Crystal structure changes and principal defects in irradiated crystals

E. V. Kolontsova, A. E. Korneyev and V. P. Lutsenko

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On the ortho–clino phase transition of ferrosilite (FeSiO₃) and Fe-rich pyroxenes

S. Sueno and M. Kimata

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Thermal behaviour of muscovite – OD structural aspects

K. Dornberger-Schiff and K.-O. Backhaus

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Rigid-body analysis of diamantane at 7 K

E. H. M. Evans, R. Hine and J. P. C. Richards

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Polymorphic transition in succinic acid crystals

N. N. Petropavlov and S. B. Yarantsev

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The order–disorder transformation in the π-molecular compound pyrene:pyromellitic dianhydride

F. H. Herbstein, R. E. Marsh and S. Samson

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X-ray and neutron investigation of order–disorder transitions in urea inclusion compounds

H. Boysen, R. Forst, H. Jagodzinski and C. Zeyen

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Alliages moleculaires – système p-dichloro-benzene/p-dibromobenzene

J. Housty, N. B. Chanh, M. Cuevas, M. Font-Altaba and Y. Haget

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Studies of the polymorphs of 4-fluoro-1-nitrobenzene, 4-chloro-1,2-dinitrobenzene and 4-chloro-1,3-dinitrobenzene

A. Wilkins and R. W. H. Small

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Phase transitions in azo compounds. Molecular and crystal structures of the low- and high-temperature forms of 2-amino-3-hydroxy-6-phenylazopyridine

G. F. Desiraju

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X-ray investigation of the incommensurate phase of α-bis(N-methylsalicylaldiminato)copper [Cu-Sim]

W. Adlhart, H. Blank and H. Jagodzinkski

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The Debye temperature of some orthorhombic crystals

A. Garg and R. C. Srivastava

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Experimental molecular diamagnetic anisotropies of condensed aromatic compounds

R. Van den Bossche and R. Sobry

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Regularities in binary intermetallic compounds

P. Villars and K. Girgis

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Polarization dependence of three-photon absorption in solids

A. R. Hassan

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Effect of a dislocation on the process of domain wall displacement in a ferromagnet

L. M. Dedukh, M. V. Indenbom, V. I. Nikitenko and V. K. Vlasko-Vlasov

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Study of mechanisms limiting domain wall velocity in real ferrimagnetic crystals

V. I. Nikitenko, L. W. Dedukh, V. S. Gornakov, Yu. P. Kabanov and A. A. Polyanskii

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Spin-reorientational phase transition in the dislocation microstress field

L. M. Dedukh, M. V. Indenbom, V. I. Nikitenko and V. K. Vlasko-Vlasov

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Hydrothermal synthesis, crystal structure and magnetic properties of Cs₂FeF₅·H₂O

N. V. Belov, N. I. Golovastikov, A. N. Ivashenko, B. Ya. Kotjuzhanskii, O. K. Melnikov and V. N. Phylippov

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Preparation of Ba_p (Fe₂S₄)_q: a one-dimensional transition metal chalcogenide

J. S. Swinnea and H. Steinfink

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Compounds with intermediate spin: the crystal structure of Fe[S₂CN(C₃H₄N)₂]₃·1/2CHCl₃ at 150 and 295 K

J. Albertsson, Å Oskarsson and K. Ståhl

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The structural basis for pyroelectricity in LiIO₃

C. Svensson, J. Albertsson, R. Liminga and S. C. Abrahams

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The crystal structures of quasi one-dimensional conductors on the base of tetrathiotetracene (TTT) and tetreselenotetracene (TSeT) with inorganic anions

R. P. Shibaeva and V. F. Kaminskii

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The role of structure on superconductivity of A15-superconductors

K. Girgis

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Premartensitic states in ordered Cu₆₈–Zn₁₅–Al₁₇ alloy

A. A. Katsnelson and N. A. Khatanova

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Structure and physical property relations of ZrO₂

D. L. Evans

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Compression behavior of GeO₂ (quartz): possible high-pressure polymorphism

H. E. King Jr, S. J. La Placa, F. Dacol and G. Burns

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Metallic character and ductility of the beryllides and their zinc analogs:

P. J. Shlichta

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The relation of muscovite structural thermostability to its crystallochemistry peculiarities

G. A. Kunzetsova and M. S. Metsik

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Study in the strain tensor of some organic heterocyclic compounds

L. A. Teslenko, V. F. Teslenko and V. V. Makarsky

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The crystal strucures, molecular polarizabilities and electro-optical properties of some amino and polyamino acids

V. P. Gupta, V. D. Gupta and C. Mehrotra

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Charge density studies of transition metal atom containing solids

P. Coppens

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Magnetic neutron scattering in transition metals and their compounds

P. J. Brown

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Electron densities in momentum space of transition metals and their compounds

S. Berko

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Recent tabulations (X-ray mass attenuation data)

J. H. Hubbell

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Progress report on the IUCr X-ray attenuation project

D. C. Creagh

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Measurement of X-ray attenuation coefficients for photon energies in the range 0.1 to 5 keV

P. Dhez

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The measurement of X-ray attenuation coefficients in the 5 to 100 keV range

L. Gerward

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Survey of results on oxalic acid dihydrate

P. Coppens

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On the data bank project for charge, spin and momentum density data

H. Burzlaff and A. Hountas

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Charge and momentum density studies in single crystals

J. R. Schneider

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Analysis of the electronic structure based on diffraction and Compton scattering measurements. Examples: Be and Li₃N

N. K. Hansen

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X-ray diffraction studies of surfaces and interfaces

P. Eisenberger

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CCDC reference: 1270567

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CCDC reference: 1225530

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M. E. Zolensky and D. K. Smith

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The crystal structure of furongite

J. Shen and Z. Peng

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O. Baumgartner, A. Preisinger, G. Heger and H. Guth

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The symmetry of diamond

G. Donnay and J. D. H. Donnay

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Space-group symmetry and structure-parameter refinement for magnesium aluminate spinel

N. W. Grimes and P. Thompson

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Melanophlogite: composition, thermal behavior and structure refinement

H. Gies and F. Liebau

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The crystal structure of lessingite, rich in light rare earth, cerium

D.-y. Li, P.-l. Wang and J.-c. Liu

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Lovdarite: three-membered rings in a framework silicate

S. Merlino

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Crystal structure of lizardite 1T

M. Mellini

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F. H. Moore and I. M. Threadgold

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The crystal structure of ekanite, ThCa₂Si₈O₂₀

J. T. Szymański

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Crystal chemistry of copper silicates and germanates

W. Eysel and K.-H. Breuer

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The unusual annealing behaviour of Eifel sanidine

Chr. Zeipert and H. Wondratschek

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Unusual serpentine from Kimberley

L. V. Nikishova

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High-resolution electron microscopic studies of the system (Ca,Sr)(Si,Ge)O₃

S.-L. Wen and D. A. Jefferson

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The nature of cohesion energy of dickite layers ion the basis of its structure refinement

A. S. Bookin, V. A. Drits and L. V. Rozhdestvenskaya

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Three-dimensional modulated structure of digenite, Cu_6.9Fe_0.1S₄

A. Nakano, Y. Hiratsuka, K. Koto, M. Tokonami and N. Morimoto

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The crystal structure of the hollandite-type phase of synroc B between 20°C and 1060°C

T. M. Sabine and A. W. Hewat

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An automated X-ray diffraction method for the routine mineralogical analysis of drilling cores

C. M. Shepperd and T. J. Laker

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X-ray study of corrosion products of some ancient Egyptian metals and alloys

S. A. Saleh and F. M. Helmi

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An analytical modification of Winchell diagram for determination of garnet composition

W. G. R. de Camargo, J. B. de Madureira Filho and L. A. R. de Camargo

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A systematic approach of ore minerals determination by their reflectance values, physico-chemical and structural parameters

F. M. Nakhla

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Y. Abbas, M. Mostfa and M. Fayek

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Magnetic neutron diffraction in bismuth ferrite

I. Sosnowska, E. Steichele, T. Peterlin-Neumeier and M. Szymański

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Observation of hyperfine-enhanced nuclear orientation by means of neutron diffraction

M. Steiner, H. Dachs, Y. Ajiro, A. H. Millhouse, K. Ohlhoff, G. Rahn and U. Scheer

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W. J. Westerhaus and A. Simon

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H. Lüscher, K. Girgis and P. Fischer

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E. Gurewitz, M. Melamud, A. Horowitz and H. Shaked

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Structure and magnetic properties of alkalichalcogenoferrates

W. Bronger and P. Müller

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Solids and molecules – a theoretical connection

J. K. Burdett

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X-ray diffraction studies on high-oxidation state organometallic complexes of tantalum and tungsten

M. R. Churchill

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Mixed metal clusters – prediction, observation and rationalisation

J. A. K. Howard

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Theoretical studies of bonding and structure at DuPont

F. A. Van-Catledge, R. J. McKinney and D. L. Thorn

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Long C—C single bonds

A. Dunand

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Hybridization, conjugation and geometric variations in three-membered carbocycles

F. H. Allen

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Molecular dimension of indole moiety: a comprehensive study

B. N. Das, B. N. Lahiri and M. Ghosh

CCDC reference: 1216646

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p-Nitroaniline revisited

M. Colapietro, A. Domenicano, C. Marciante and G. Portalone

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The anti,anti conformation of tetramethoxy-tetramethyl-1,4-cyclohexadiene, an overriding of the anomeric effect

M. G. Ettlinger, J. Jaroszewski and L. Nørskov

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Bonding of amidine ligands

N. Cameron, M. Kilner, M. M. Mahmoud and S. C. Wallwork

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Aminocarbyne complexes of chromium: structures and bonding

U. Schubert, D. Neugebauer, K. Ackermann, P. Hofmann and B. E. R. Schilling

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The polymethinic state – a structural principle of unsaturated organic compounds

S. Kulpe

CCDC reference: 1212815

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The crystal and molecular structure of 3′-fluorobiphenyl-4-carboxylic acid

A. Rawas and H. H. Sutherland

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The crystal and molecular structures of some tertiary amine oxides

E. Maia and S. Pérez

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Structural chemistry of triaryl amine oxidation

R. P. Scaringe and S. L. Reynolds

CCDC reference: 1213438

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The crystal structure of morpholinium morpholinoformate

C. J. Brown and L. R. Gray

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Conformational analyses of α-(1-nitropolyacetoxy-2-heptyl)-β-alkylamino-crotonic acid esters by X-ray diffraction

R. Vega, M. J. Dianez, A. López Castro and R. Márquez

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Neutron diffraction refinement of the structure of a push–pull ethylene C₁₃H₁₄OSN₂

S. Bhakay-Tamhane, A. Sequeira and R. Chidambaram

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Crystal and molecular structures of polarised ethylenes

D. Adhikesavalu and K. Venkatesan

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Crystal structure of a 4-methylpyridine

G. Heger, U. Ohms and W. Treutmann

CCDC references: 1102640; 1102642; 1102644; 1102646; 1102648; 1102650

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Structural studies of O-pivaloyl-D-glucofuranurono-6,3-lactones

B. Kojić-Prodić, Ž Ružic-Toroš, I. Golič and S. Tomić

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Crystal structures of methyl 4,6-O-(S)-benzylidene-2-chloro-2-deoxy-α-D-idopyranoside

I. A. S. Edwards, H. P. Stadler and L. N. Chamberlain

CCDC reference: 1104901

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Highly substituted disaccharides with unusual α-linkages

H.-J. Schmidt, M. Strumpel, P. Luger and H. Paulsen

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Crystallization and structure determination of tetrahydropyran

J. Buschmann and P. Luger

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The crystal structure of the furoin

F. Fajardo, Yu. I. Smolin, Yu. F. Shepelev and R. Pomés

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Crystal structure of norharmane C₁₁H₈N₂

S. Roychowdhury and P. Roychowdhury

CCDC reference: 1104796

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Crystallographic studies on some cycloalkanone-phenylpyridine derivatives

M. Cygler, K. Dobrynin, A. Stępień and M. J. Grabowski

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Stereochemical aspects and crystal structure of two naturally occuring iridoid compounds

M. K. Strumpel and G. Ruban

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The crystal structure of (2R,3S)-2-hydroxy-3-hydroxyisopropyl-5,8-dimethyl-1-keto-1,2,3,4-tetrahydronaphthalene, a natural product present in Emmotum nitens (Icacinaceae)

M. T. P. Gambardella, J. Z. Schpector, Y. P. Mascarenhas and A. B. de Oliveira

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Naurally occuring sesquiterpine lactones. Examples of the structurally unusual germacranolides

U. Rychlewska

CCDC references: 1239267; 1239269

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Crystal and molecular structure of DL-1β-methyl-7-methoxy-1,2,3,4,4a,9α-hexahydro-1α,9α-ethanofluorene-11-one (C₁₇O₂H₂₀)

S. G. Biswas and A. Kabiraj

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Crystal and molecular structure of 6-(3-hydroxy-3-methyl-1-butenyl)-7-methoxycumarin (suberinol)

R. R. Bandyopadhyay and B. S. Basak

CCDC references: 1149402; 1263378

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Crystal and molecular structure of 9-methoxy-ellipticine (C₁₈H₁₆N₂O)

R. R. Bandopadhyay and B. S. Basak

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11-Methylbenz[a]anthracene: an almost planar substituted benz[a]anthracene

C. E. Briant and D. W. Jones

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Indications of absolute configuration from anomalous dispersion of oxygen in two natural products

M. J. Begley, L. Crombie, W. M. L. Crombie and F. Moffatt

CCDC reference: 1320713

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Crystal structure of 1-methoxycarbonyl-2,3-(cyclopenta-1,3-diyl)-triaziridine

R. Prewo and J. H. Bieri

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Molecular structure studies on energetic azido compounds

R. Gilardi and C. F. George

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The conformation of heterocyclic spiro compounds. X. The structure of N-(γ-hydroxypropyl)-granatanine-3-spiro-5′-hydantoin monohydrate (C₁₃H₂₃N₃O₄)

F. Florencio, P. Smith-Verdier and S. García-Blanco

CCDC reference: 1225939

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The crystal structure of 7,11-diphenylspiro[5,5]undecane-1,9-dione

M. Laing

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Crystal structure of (±)-3a-methyl-1,2,3,3a,6,7-hexahydropentaleno-1,6a-a-naphthalen-4-one, C₁₇H₁₈O

B. N. Lahiri, B. N. Das and S. Chaudhuri

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The crystal structure of drimenol

C. Escobar and O. Wittke

CCDC reference: 1211128

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Crystal structure of a bridged hydroxy cyclopentanone, C₁₇H₂₀O₂

S. C. Kunda Das and B. S. Basak

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A simple weighting scheme used in the structure determination of α-hydroxy-γ-lactonic acid

A. Seal and S. Ray

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The structure of a keto-lactam-acid from lycoctonine

M. Cygler, M. Przybylska and O. E. Edwards

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X-ray crystal structure of a novel alkaloid from the medicinal plant Piper guineense

K. A. Woods, F. L. Phillips, J. Addae-Mensah, J. C. J. Bart and S. Chaudhuri

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The low-temperature (−100°C) structure of a 'strapped' porphyrin

F. W. B. Einstein, T. Jones and D. Dolphin

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Structure of the crown ether 5,5,10,10,15,15,20,20-octamethyl-1,4:6,9:11,14:16,19-tetraepoxycycloeicosane

G. S. D. King and J. Aerts

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The crystal and molecular structures of a novel tricyclic cylindrical polyether in uncomplexed and complexed forms

R. C. Haltiwanger, D. M. Walba and R. M. Richards

CCDC reference: 1104739

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Synthesis and crystal structures of three isomeric macrobicyclic polyethers having the same melting point and different complexing power for alkali metal cations

J. A. Bandy, D. G. Parsons and M. R. Truter

CCDC references: 1124341; 1124344; 1124347

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The structure of 15-membered polyfunctional macroheterocycles

Yu. Simonov, T. Malinowsky, Yu. Ganin, A. Dvorkin, A. Bogatsky, N. Lukyanenko and Yu. Popkov

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The structures of polyfluoroorganic compounds

M. Yu. Antipin and Yu. T. Struchkov

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Configurations and crystal structures of diphosphinedisulfides and derivatives

D. Mootz, H. Wunderlich and H.-G. Wussow

CCDC references: 1117025; 1117027; 1117029; 1117031

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The structure of the precursor of phosphatetrafuranoses: 2,3-dihydroxy-4-methoxy-1-phenylphospholane 1-oxide, C₁₁H₁₅O₄P

Z. Gałdecki

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The crystal structures and absolute configurations of four 1,3,2-oxazaphospholidines derived from (−)ephedrine

T. J. Bartczak, Z. Gałdecki, M. Rutkowska, Yu. T. Struchkov and M. Y. Antipin

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N,N′-Di[2-methyldithiocarbonyl-1-cyclopentenyl]-1,3-diaminopropane, C₁₇H₂₆S₄N₂

P. B. Sarkar and S. P. Sen Gupta

CCDC reference: 1124399

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Crystal structure of bis(imino) thiazetidines

G. S. D. King and L. Van Meervelt

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Monopotassium salts of 4-cyano and 4-nitro-3-hydroxy-6H-1,2,6-thiadiazine 1,1-dioxide monohydrate

C. Esteban-Calderón, M. Martínez-Ripoll and S. García-Blanco

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Conformational and structural relationships between ten diterpenoids from Teucrium species

L. Eguren, J. Fayos and A. Perales

CCDC references: 1104708; 1104710

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Structural investigations of liquid clathrate parent complexes: the crystal and molecular structures of K₂[Al₄Me₁₂SO₄], K₂[Al₄Me₁₂SO₄]·0.5p-Me₂-C₆H₄, and K[Al₇O₆C₁₆H₄₈]·C₆H₆

R. D. Rogers, D. C. Hrncir and J. L. Atwood

CCDC references: 1104755; 1104757; 1104759

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The X-ray study of organosiloxanes

V. E. Shklover, I. L. Dubchak, T. V. Timofeeva and Yu. T. Struchkov

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The crystal structure of three (1,1-disubstituted-2,4,6-triphenyl-λ⁵-phosphorin)tricarbonylchromium complexes

T. Debaerdemaeker

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Crystallographic studies of molybdenum to carbon multiple bonds

N. C. Norman, A. G. Orpen and I. D. Williams

CCDC references: 1104688; 1104689

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The crystal structures of two cyclopentadienyl iron carbonyl sulfides

A. Aruffo, E. C. Lingafelter, B. D. Santarsiero and V. Schomaker

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Structures of two transition-metal complexes of strong π-acceptor ligands: (1) tricarbonyl{tris[phenyl(difluorophosphino)amino]phosphine}molybdenum and (2) μ-carbonyl-μ-[N,N-bis(dimethoxyphosphino)methylamine]bis(tricarbonyliron)

G. M. Brown, J. E. Finholt, R. B. King, T. W. Lee, J. W. Bibber and J. Kim

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Crystal structures and phase transition of a mixed-valence binuclear ferrocene compound

M. Konno

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Structure of organometallic cobalt(I) complexes containing trimethylphosphine

A. L. Beauchamp, M. J. Oliver, M. Dartiguenave, Y. Dartiguenave and B. Capelle

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The crystal structure of a five-coordinate acetylido-phosphine complex of ruthenium(II)

G. J. Kruger, T. V. Ashworth and E. Singleton

CCDC references: 1100822; 1100824; 1100827

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Crystal and molecular structure of [RuCl₃(NO)(Ph₂P-CH₂-C₁₈H₁₀-CH₂PPh₂)]

F. Bachechi, P. Mura, L. Zambonelli, R. Holderegger and L. M. Venanzi

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A catalytic chiral reduction precursor: 1,2-bisdiphenylphosphino-1-cyclohexylethane(norbornadiene)rhodium perchlorate

J. D. Oliver and L. C. Strickland

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The carbido–carbonyl cluster anion of rhodium [Rh₁₂C₂(CO)₂₄²⁻ characterized by crystallographic methods

V. G. Albano, D. Braga, S. Martinengo and D. Strumolo

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Crystal and molecular structure of a binuclear platinum dihydrido bridged complex [Pt₂H₂(C₆H₅){P(C₂H₅)₃}₄][B(C₆H₅)₄]

F. Bachechi, L. Zambonelli, G. Bracher, D. M. Grove and L. M. Venanzi

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The crystal structure of (2,2′,2′′-terpyridyl)–aquatriphenyl chloro tin(IV) (1:1)

L. Prasad, F. L. Lee, Y. Le Page and F. E. Smith

CCDC reference: 1269398

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The crystal structure of 2,2′-bipyridyl diphenyl diisothiocyanato tin(IV)

L. Prasad, E. J. Gabe, Y. Le Page and F. E. Smith

CCDC reference: 1114925

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Primary and secondary bonding in phenyl tellurium(IV) compounds

N. W. Alcock and W. D. Harrison

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The crystal structure of tris-(4,7,9-trimethylindenyl)thorium chloride

M. R. Spirlet, J. Rebizant and J. Goffart

CCDC references: 1104896; 1104899

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A structural comparison between four alkali-metal dithiocarbamate hydrates

I. Ymén

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The X-ray investigation of potassium xanthates

A. A. Kashaev, N. A. Frolova, S. B. Leonov, M. S. Metsik and O. N. Belkova

CCDC references: 1104876; 1104878; 1202158

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Crystal structures of a macrobicyclic polyether and of its complex with rubidium picrate

I. R. Hanson, J. D. Owen and M. R. Truter

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Molecular and crystal structures of urate salts

E. Dubler, Z. Kopajtic, A. Reller and G. B. Jameson

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The structures of some tetrahedral zinc complexes

G. W. Smith

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Crystal structure of an active-site model for carbonic anhydrase: [tris-2(4,5-diisopropylimidazolyl)phosphine]dichlorozinc(II).·2[N,N-dimethylformamide]

R. J. Read and M. N. G. James

CCDC reference: 1104717

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Two Cd(II) with different coordination numbers in the crystal structure of hexamethylenetetramine–cadmium iodide–water (2/3/4)

T. C. W. Mak

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The structures of four complexes of mercury(II) trifluoroacetate with 2,2′-bipyridyl

J. Halfpenny and R. W. H. Small

CCDC reference: 1104763

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Structural chemisry of some coordination compounds with sulfur–nitrogen ligands

U. Thewalt and M. Burger

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Structure of a tris lactam chromium(III) trichloride

J. Hašek, J. Ječný and K. Huml

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The crystal structure of bis(triphenylphosphine oxide) manganese(II) chloride isothiocyanate

K. Tomita

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The crystal structure of tetra-n-butylammonium tetrabromoaurate III

J. P. Johnson, H. B. Krause and E. G. Sherry

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The structure of a four-coordinate gold(I) complex: [Au(PPh₃)₃SCN]

J. A. Muir, M. M. Muir, S. Arias, C. F. Campana and S. K. Dwight

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The crystal structures of tetrapyridine copper(I) perchlorate and tetrapyridine silver(I) perchlorate at 250 K

K. Nilsson and Å Oskarsson

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Polyiodide komplexer Kationen mit ungesättigten Liganden

B. Freckmann and K.-F. Tebbe

CCDC references: 1106273; 1106274; 1106277; 1106278; 1106279; 1106280; 1106281

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X-ray structural and magnetic studies of four tetranuclear alkoxy-bridged copper(II) amine complexes

K. Nieminen and A. Pajunen

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The crystal structures of some hexamethylenetramine complexes of Cu(II), Cd(II) and Hg(II)

J. Pickardt

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X-ray study of the properties of the cyanate ion in Cu(II) complexes with heterocyclic neutral ligands

F. Valach and M. Dunaj-Jurčo

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Structures of copper(II)–mercaptide complexes

O. P. Anderson and C. M. Perkins

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The crystal structure of diaquatetra(β-picoline)Cu(II)perchlorate, [Cu(H₂O)₂(C₆H₇N)₄](ClO₄)₂

S. Hu, R. J. Barton, K. E. Johnson and B. E. Robertson

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Crystal structure of (L-aspartate)(imidazole)copper(II) dihydrate

L. Antolini, L. Menabue, G. C. Pellacani, M. Saladini, G. Marcotrigiano and P. Morini

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Binuclear copper(II) inclusion complexes: binuclear copper(II) cryptates with macromono- and macropolycyclic ligands; insertion of substrate between the two metal cations

R. Louis, Y. Agnus and R. Weiss

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The structures of salycylaldiminates of Cu(II)

A. N. Shnulin and Kh. S. Mamedov

CCDC reference: 1104685

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Crystal structures of two copper(II)–TIM complexes

A. Elia, E. C. Lingafelter and V. Schomaker

CCDC references: 1127443; 1127445

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X-ray molecular structures of some macrocyclic complexes

T. H. Lu, T. J. Lee and C. S. Chung

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Structural investigations on α-bis-(N-methylsalicylaldiminato)-ME(II), ME = Ni, Cu, Pd

W. Steurer and W. Adlhart

CCDC reference: 1104691

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The crystal structure of inclusion compound (Mo(S₂CN(Et)₂)₄)⁺(FeCl₄)–(PhCH₂SSCH₂Ph)

M.-C. Shao, G.-P. Li, Y.-C. Tang, D.-Y. Guo, P.-Z. Lu and Y.-G. Fan

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The crystal and molecular structure of a typical red Roussin salt (Me₄N)₂[Fe₂S₂(NO)₄]

X. Lin, J. Huang and J. Lu

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The crystal and molecular structure of 'Series G' model compounds for the active center of nitrogenase

L. Huang and J. Lu

CCDC reference: 1104719

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The crystal and molecular structure of tripyridine (S-methylthiosemicarbazone salicylaldehydato)cobalt(II) trichloropyridine cobaltat(II)

V. Divjaković and V. Leovac

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Secondary explosives of substituted tetrazolatoammine cobalt complexes

E. J. Graeber and B. Morosin

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The crystal structure of tetrabutylammonium trisacetylacetonato-cobaltate(II) and -nickelate(II)

B. D. Santarsiero, A. Esmaili, V. Schomaker and E. C. Lingafelter

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Chaines moleculaires heteropolymetalliques

A. Gleizes and M. Verdaguer

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Crystal structure of cobalt(III) complexes with multidentate amine ligands

G. Bombieri, E. Forsellini, F. Benetollo and A. Del Pra

CCDC references: 1115732; 1267478

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The crystal and molecular structure of fluoromethylphosphito-P′-cobalamin

R. Bieganowski, J. Kopf, W. Hinrichs and K. von Deuten

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Molecular structure of a four-coordinated macrocyclic Ni-complex [Ni(C₂₆H₁₄N₈)]

S. Peng, Y. Wang and T. Ho

CCDC reference: 1106006

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The structure of tris(S-methyldithiocarbazate)nickel(II) complexes

T. J. Malinowsky, V. A. Neverov, C. P. Belyaeva and V. N. Biyushkin

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Crystal structures of two trans bipyridine complexes of Ru(II), Ru(bipyridine)₂(PPh₃)₂(PF₆)₂ and Ru(4,4′-dimethylpyridine)₂(pyridine)₂(PF₆)₂; variations in conformation for the necessarily distorted trans bis(bipyridine) chelation

A. W. Cordes, P. N. Swepston, W. Pennington, S. M. Condren and B. Durham

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Crystal structure of Ru-tris(4,7-dimethyl-2,3,8,9-dibenz-5,6-dihydrophenanthroline) di-hexafluorophosphate

M. Zehnder, P. Belser and A. von Zelewsky

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Tributylphosphine substituted polynuclear Ru-carbonyl carboxylates

M. Bianchi, P. Frediani, M. Nardelli and G. Pelizzi

CCDC references: 1115189; 1115191

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The conformation and ring strains of chelates in M(1,3-PDTA) type complexes

R. Herak, G. Srdanov, M. Djuran and D. Radanović

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New hydrido-bridge binuclear rhodium–iridium complexes

A. Albinati, H. Lehner, R. Nägeli, A. Musco and L. M. Venanzi

CCDC reference: 1178462

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Crystal structure analyses of binuclear rhodium(II) and iridium(II) isocyanide complexes

A. W. Maverick and T. P. Smith

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Mixed valence complexes of platinum. The crystal structures of [(Pt)(Meen)₂][PtBr₂(Meen)₂](ClO₄)₄ and [Pt(tn)₂][PtI₂(tn)₂](ClO₄)₄

B. Keppler, B. Müller, M. Cannas and G. Marongiu

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Monomeric aquo and hydroxo complexes of platinum(II)

J. F. Britten, P. Pilon, B. Lippert and C. J. L. Lock

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Studies of the interaction of platinum(II) with 9-ethylguanine and the N1 deprotonated 9-ethylguaninate anion

R. Faggiani, B. Lippert, C. J. L. Lock and R. A. Speranzini

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Structures of technetium compounds of radiopharmaceutical interest

A. Davison, K. J. Franklin and C. J. L. Lock

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Adducts of antimony trihalides with N- and π-donors: the structures of 2SbCl₃·3(4-phenylpyridine) and 2SbBr₃·biphenyl. Stereochemistry of trivalent antimony

A. Lipka

CCDC references: 1229439; 1229441; 1229442

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The preparation and crystal structure of bis(imidotetraphenyldithiodiphosphino-S,S′)-tellurium(II)

S. Bjørnevåg, S. Husebye and K. Maartman-Moe

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The low-temperature neutron diffraction study of [WH₆(PPhPrⁱ₂)₃]

D. Gregson, J. A. K. Howard, J. L. Spencer, D. Turner and S. Mason

CCDC reference: 1104700

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The structure of the addition compound of tris-(N,N-dimethylacetamide) hexaaquo praseodymium trifluoromethane sulphonate

R. W. Becker, E. E. Castellano, G. Vicentini and T. Tamura

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The crystal structure of sodium triaqua(ethylenediaminetetraacetate)samarate(III) pentahydrate by neutron diffraction

D. W. Engel and T. F. Koetzle

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Crystal and molecular structure of dinitratobis(tri-n-butylphosphine oxide)dioxouranium(VI)

J. R. Burns

CCDC reference: 1150717

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The disordered structure of the addition compound of europium perchlorate with diphenylphosphinamide

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Central data collection facility for protein crystallography, small-angle diffraction and scattering at the Daresbury Laboratory Synchrotron Radiation Source (SRS)

J. R. Helliwell, T. J. Greenhough, P. Carr, P. R. Moore, A. J. Thompson, G. Hughes, M. M. Przybylski, P. A. Ridley, J. E. Bateman, J. F. Connolly and R. Stephenson

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Characterization and quantitative determination by X-ray diffraction of α quartz, calcite and the clay minerals illite, kaolinite and chlorite in some lake, fluvial and sea sediments

C. J. Toussaint and R. Boniforti

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A comparison between the conventional Bragg–Brentano technique and the transmission technique in powder diffractometry

E. Wölfel

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The accuracy of a fast scanning PSD Guinier diffractometer

H. E. Göbel

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A microprocessor-controlled continuous-flow cryostat for single-crystal X-ray diffraction studies

S. Allen, J. Cosier, T. J. Hastings, D. T. Smith, I. G. Wood and A. M. Glazer

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An X-ray high-temperature camera

W. Adlhart, H. Jagodzinski, S. Sueno and N. Tzafaras

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High-temperature diamond anvil cell for single-crystal X-ray experiments

S. Miyano and S. Sueno

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Application of synthesized holograms to electron-microscopic studies of crystals

V. V. Aristov, G. A. Bashkina, A. I. Erko, L. S. Kohanchick and I. I. Khodos

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Light scattering tomography for detection of crystalline defects

K. Moriya and T. Ogawa

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Experimental refinement of reciprocal lattice angles

V. I. Lisoivan

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Advances in direct methods for small and medium-size molecules

M. M. Woolfson

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Advances in direct phasing of large-molecule structures

D. Sayre

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Progress and problems in crystallographic statistics – general review

H. Hauptman

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Bayesian statistics

S. French and S. Oatley

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Intensity distributions in space groups of higher symmetry

U. Shmueli

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Statistics of recorded counts

J. L. de Boer

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Measurability of Bijvoet differences

S. Parthasarathy

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Wiener methods for electron density

D. M. Collins and M. C. Mahar

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Alternatives to R-tests

S. M. Rothstein

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Intensity statistics and probability of validity of phase relations

G. B. Mitra and S. Ghosh

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Patterson search and direct methods – a combined approach to structure solution

E. Egert, W. B. T. Cruse and O. Kennard

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On the interpretation of the Patterson synthesis

P. Engel

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Formulas for the calculation of n-tet phase invariants and embedded seminvariants for all space groups

J. Karle

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The use of quartets and quintets in random phasing procedures

A. A. Freer and C. J. Gilmore

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The SIR project: a general probabilistic approach to the phase problem

C. Giacovazzo, G. Cascarano, M. C. Burla, A. Nunzi, G. Polidori, B. Busetta, R. Spagna, I. Vicković and D. Viterbo

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Information theory and the maximum determinant

P. L. Britten and D. M. Collins

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A uniquely powerful phase relationship

D. M. Collins and M. Fredrich

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A new determinantal theory for solving the phase problem using stereochemical information

A. D. Podjarny and C. Faerman

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Estimation of reliable normalized structure factors

V. Subramanian and S. R. Hall

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The estimation of sigma|E(h)| and its application in phasing procedures

S. R. Hall and V. Subramanian

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Integrating techniques of direct methods with anomalous dispersion

H. Hauptman

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The reliability of the Σ₂ relation from a dynamical point of view

J. D. Schagen, H. Schenk and B. Post

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A random approach to crystal structure determination

J. P. Declercq, G. Germain, M. M. Woolfson and H. Wright

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RANTAN – random MULTAN

J.-x. Yao

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MAGEX – a procedure for phase determination

S. E. Hull, D. Viterbo, M. M. Woolfson and S.-H. Zhang

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Strengthened translation functions: finding the position of a small known fragment by search methods in DIRDIF Fourier space

H. M. Doesburg and P. T. Beurskens

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Breaking of pseudosymmetry using direct methods

R. Böhme

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Problems of enantiomorph discrimination in direct methods

S. Fortier, W. L. Duax and H. Hauptman

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Solution of the phase problem for non-centrosymmetric cases in two stages

H.-f. Fan, Y.-x. Gu, Z.-b. Xu, J.-z. Qian and C.-d. Zheng

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The problem of multiple solutions in structure determination and the applications of modified Sayre's equations

H.-f. Fan and Q.-t. Zheng

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False molecular images in direct and heavy atom phase determinations

W. Wong-Ng and S. C. Nyburg

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A real approach to determination of phases

D. F. Grant and R. C. G. Killean

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RESTRAIN: the practical application of a restrained least-squares refinement program in protein crystallography

D. S. Moss and A. J. Morffew

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A robust/resistant technique for crystal structure refinement

W. L. Nicholson, E. Prince, J. Buchanan and P. Tucker

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Crystal structure analysis and the problem of secondary minima in the method of least squares

R. Rothbauer

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Structure factor calculation of orientationally disordered molecules

D. Hohlwein

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Monte Carlo simulation of the molecular distribution in orientationally disordered crystals:

W. Prandl

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Structure refinements of multimodal atomic density distributions in the Einstein approximation

W. F. Kuhs

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Calculation of the electron density distribution with an account of statistical errors in structure amplitudes and series termination

A. A. Shevyrev and V. I. Simonov

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Non-ideal distributions and moments of intensity

U. Shmueli, U. Kaldor and A. J. C. Wilson

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Effects of heavy atoms and symmetry on the cumulative distribution function of normalized structure amplitudes

G. D. Nigam and S. Ghosh

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Conformational energy analysis of Bence Jones Protein Rhe

A. Chatterjee, B. C. Wang, W. Furey Jr, C. S. Yoo and M. Sax

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Crystal structure prediction by energy minimisation

C. R. A. Catlow, A. N. Cormack and F. Theobald

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Adaption of the potential energy of molecular and crystal structures to powder diagrams

H. Bradaczek, G. Barnickel and H. Labischinski

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Conformational polymorphism. Crystal energetics of a trimorphic system including disorder

I. Bar and J. Bernstein

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Calculating atomic density maps without X-rays or neutrons

I. D. Brown

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Short bonds – the result of disorder, not libration

A. D. Rae

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On the use of microprocessors in crystallography

H. Burzlaff

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Crystallographic computing on an attached array processor

W. Furey Jr, B. C. Wang and M. Sax

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The use of vector processors in crystallography

D. S. Moss

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Language preprocessors and portability

R. J. Munn and J. M. Stewart

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Portability and machine specificity: a dichotomy for software packages

S. R. Hall

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Fortran compatibility without preprocessors

G. M. Sheldrick

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Computer networks and crystallography

G. C. Bassi

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Indexing asymmetrical Laue photographs by minicomputer

H. V. Hart and E. A. Rietman

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Identification of the metric symmetry of a lattice by finding its even-order symmetry axes

Y. Le Page

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Intelligence artificielle et mésure de pic

M. Tournarie

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Simultaneous optimization for automatic diffractometer and crystal structure determination

V. Debelle, A. Hardy, J. Nérault and M. Tournarie

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The NRC PDP-11 crystal structure system

E. J. Gabe and F. L. Lee

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A knowledge-based system for interpreting protein electron density maps

A. Terry, R. Engelmore, S. Freer and C. K. Johnson

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A laboratory crystal structure computing system

C. J. Gilmore, P. R. Mallinson, K. W. Muir and D. N. J. White

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Examples of the use of interactive computer graphics with real-time energy calculations in studies of protein–ligand interactions and in drug design

A. A. Chabot, A. J. Geddes, A. C. T. North and E. A. Potterton

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BILDER: an interactive graphics program for biopolymers

R. Diamond

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Crystallographic uses of the SRC microfilm recorder

K. M. Crennell

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IUCr in-house typesetting system

D. W. Penfold

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Division of Acta Crystallographica and IUCr publication and editorial policies

S. C. Abrahams

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Structure Reports, the journals and the databases

G. Ferguson

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Inorganic Crystal Structure Database

G. Bergerhoff and I. D. Brown

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The NBS Crystal Data File

A. D. Mighell and J. K. Stalick

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Cambridge Crystallographic Database

O. Kennard

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The Metal Data File

L. D. Calvert

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The Protein Data Bank

T. F. Koetzle

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JCPDS-International Centre for Diffraction Data

C. R. Hubbard and G. J. McCarthy

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The role of crystallography in modern science

B. K. Vainshtein

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Crystallographic methods applied to materials science

S. C. Abrahams

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Minimum minimorum of crystallography for material scientists

J. D. H. Donnay

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Developments in the Teaching Commission's pamphlet project

C. Taylor

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Classical types of printed information sources

A. J. C. Wilson

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Some experiences with computerized information systems

W. B. Schweizer

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The role of a micro-computer in a programmed course in crystallography for undergraduate chemistry students

A. van der Voort, B. F. K. van Santen, J. Jurriaans and H. Schenk

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The use of computer graphics in the teaching of crystal morphology

I. O. Angell and M. Moore

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Use of stereographic projections in the interpretation of X-ray diffraction data

M. J. Mendelssohn and H. J. Milledge

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Patterns for teaching three-dimensional space group symmetry

W. M. Meier

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Planar symmetry in periodic designs

M. M. Julian and A. M. VanBuren

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Teaching of crystallography: an alternate class-room derivation of the 32 crystallographic point groups

W. G. R. de Camargo and A. R. de Camargo

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An introduction to superspace symmetry: the three-dimensional coloured crystals as four-dimensional semi-crystals

Y. Billiet and D. Weigel

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Color groups from the mathematical point of view

H. Zassenhaus

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The role of normalizers in the theory of crystallographic groups

W. Fischer

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Symmetry analysis by electron diffraction

J. W. Steeds

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Symmetrical solids viewed as the intersection of prisms

M. Moore and I. O. Angell

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Orthorhombic space-group projections

M. Buerger

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Rotation stereohedra compounds for 3 × 23 and 3 × 432 groups of symmetry

V. I. Burdina

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Crystallographic geometry

R. V. Galiulin

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Symmetry group analysis of crystals in basic matrix representation

V. A. Liopo

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On the classification symbols of the groups of generalized symmetry, homology, similarity symmetry and curvilinear symmetry

Z. Durski and H. Nowaczak

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On some similarity operations in the theory of similarity symmetry

Z. Durski

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Antisymmetry in the emblem of the XIIth congress of the International Union of Crystallography

Z. Durski, H. Nowaczek and H. Boniuk

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Color symmetry and colored polyhedra

M. Senechal

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Observation de la dissymétrie de deux faces parallèles d'un cristal par diffraction de rayons X

J. F. Darces, J. Lamboley and H. Mérigoux

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Towards a biological crystallography – the crystallography of quasi-equivalence

A. L. Mackay

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Group–subgroup relations between plane groups as induced by the stacking of identical packing layers

M. O. Figueiredo

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Origin-shift groups?

S. C. Nyburg and W. Wong-Ng

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Deceitful trees of subgroups, return to the Hermann theorem

Y. Billiet

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Subgroups of orthorhombic and tetragonal space groups

A. Sayari and Y. Billiet

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The lattice preservation into the derivative lattices (isomorphic subgroups of p1 and P1)

M. Rolley-Le-Coz and Y. Billiet

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Conditions for types of Dirichlet partitions and of sphere packings derived for cubic point configurations

E. Koch

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Representation of cubic crystal structures by a collection of polyhedra

C. Chieh

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Defect distributions in various polytypes of silicon carbide

G. R. Fisher

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X-ray studies of polytypism and crystal structure of silicon carbide

C.-l. Kuo

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New antiphase structures formed by mechanical twinning in CuAuII ordered thin films

S. Maruyama

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Interpenetration twin in diamond

J. D. H. Donnay and G. Donnay

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Surstructures et incommensurabilité dans la thiourée

A. Moudden, F. Denoyer and M. Lambert

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Er_1.2Mo₆S₈ – structure with three incommensurate superstructures and disorder

H. B. Krause and J. M. Cowley

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The modulated structure of cubic phase Cu₉BiS₆

K. Tomeoka and M. Ohmasa

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The energetics of formation and ordering of crystallographic shear planes in ReO₃ structured oxides

A. M. Cormack, C. R. A. Catlow and P. W. Tasker

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Implications of pseudo systematic absences in apparent tetragonal 4/mmm diffraction symmetry

A. D. Rae

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Commensurate phases in (NH₄)₂ZnCl₄

D. Kucharczyk, J. Warczewski and H. Broda

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The structures of dithiophosphinate complexes of the lanthanides in the solid and in solution (X-ray + NMR)

A. A. Pinkerton, S. Spiliadis, D. Schwarzenbach and A.-C. Söderholm

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Picosecond technique of two-photon absorption measurement in crystals

B. Bareika, G. Dikčius, A. Piskarskas and V. Sirutkaitis

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Detection of picosecond IR pulses by means of nonlinear crystals

B. Bareika, G. Dikčius, A. V. Mishtchenko and V. Sirutkaitis

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Internal rotation barrier calculations by the SCF INDO open-shell method in the 2,3-dimethyl-naphthazarin radical anion

C. Sieiro, Y. G. Smeyers and R. Coy-Yll

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Mössbauer and electron diffraction studies of cation distribution in celadonite

L. G. Dainyak, A. S. Bookin, V. A. Drits and S. I. Tsipursky

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Neutron scattering, isotropic substitution and the structure of liquids and amorphous solids

J. E. Enderby

CCDC reference: 1105104

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Investigation of liquid crystals in the high-voltage electron microscope

H. Bethge, G. Kästner and Ch. Dietzsch

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Orientational-disorder models for liquid crystal phases

A. de Vries

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Sub-grain boundary self-diffusion in the orientationally disordered phase of succinonitrile

M. Brissaud-Lancin, C. Mahric, A. Riviere and J. Philibert

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X-ray study of the rotator phase of n-alkanes

J. Doucet, I. Denicoló and A. F. Craievich

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The gel phase of a type II lyomesophase system

L. Q. Amaral

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X-ray diffraction by 4-acetyl-4′-n-alkanoyloxy-azobenzenes liquid crystals

G. Albertini, S. Melone, G. Poeti, F. Rustichelli and G. Torquati

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Crystallographic and comformational study of disk-like hexaesters (and ethers) of triphenylene

M. Cotrait, P. Marsau and V. Volpilhac

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X-ray photographic studies of HAB liquid crystals

J. Przedmojski, B. Pura and J. Zacharski

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Unified kinematic theory of diffraction and disordered structures

S. N. Bagchi

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Short-range order in different models of water

B. J. Gellatly and J. E. Quinn

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Investigations about the existence of a liquid-type quasi-close-packing in concentrated aqueous solutions of aluminium and indium salts

M. I. Cabaço, M. I. de Barros Marques, M. A. Oliveira and M. Alves Marques

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Solution chemistry: a contribution from the X-ray diffraction technique

M. Magini

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A neutron diffraction study on the hydration of Ni(II), Mn(II) and Cu(II) in aqueous solution by substitution methods

M. Sandström, G. W. Neilson and J. R. Newsome

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Structural properties of ZnBr₂ solutions in EtOAc

G. Gubiotti, B. Ginatempo, G. Maisano and P. Migliardo

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Use of X-ray absorption for determination of the density of samples in studies of the scattering from fluids

M. Chandrasekhar, E. Gürmen, P. E. Chumbley, D. A. Dolejsi, H. D. Bale and P. W. Schmidt

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Characterisation of short-range order in amorphous and liquid systems

J. L. Finney, B. J. Gallatly, G. Bushnell-Wye and J. Wallace

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X-ray diffraction studies of glasses in the system CaO–MgO–Al₂O₃–SiO₂

C. M. Shepperd and E. J. W. Whittaker

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PbO ordering in lead-borate glasses

H. Grigoriew

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Liquid–liquid phase separation and crystal nucleation in BaO-SiO₂ glasses

E. D. Zanotto, A. F. Craievich and P. F. James

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Very-small angle X-ray scattering of amorphous and crystalline solids

C. K. Suzuki, S. Kikuta and K. Kohra

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Determination of porosity and pore size distribution of brown coal by means of small-angle X-ray scattering

H. K. Wagenfeld and M. Setek

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Musicristallographie

G. von Eller

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Ordering of the Pd₆₀Cu₄₀ alloy metallic lattice at hydrogenation

V. F. Degtyareva, V. E. Antonov, I. T. Belash and E. G. Ponyatovsky

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The crystal chemistry of double systems of vanadate pyroxenes M⁺VO₃ (M = Li, Na, K, Rb, Cs)

R. S. Bubnova, S. E. Filatov, V. S. Grunin, Z. N. Zonn and I. V. Roshdestvenskaya

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Influence of optical pumping on ferroelectric phase transition in proustite Ag₃AsS₃

I. M. Shmytko, Y. Sh. Shekhtman and V. I. Ivanov

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The calculation of the structural parameters for the pyrochlore family of structures. The stability regions of the pyrochlore type structure

Ja. E. Cherner, G. A. Gegusina and E. G. Fesenko

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Composition and crystal structures of double molybdates of uni- and bivalent metals

R. F. Klevtsova, V. G. Kim, L. A. Glinskaya and P. V. Klevtsov

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Crystal structure features of a series of derivatives of 1,2,4-triazole

G. I. Starova, O. V. Frank-Kamenetskaya and V. A. Frank-Kamenetsky

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Multiple X-ray scattering by rhombohedral crystals

N. N. Faleyev and V. G. Labushkin

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X-ray studies of magnetic structure of antiferromagnetic NiO and MnO crystals

N. N. Faleyev, A. A. Lomov and V. G. Labushkin

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The influence of the degree of perfection of weak ferromagnetic crystals on magnetization process

V. G. Labushkin, V. V. Rudenko, E. R. Sarkissov, V. A. Sarkissyan and V. N. Seleznev

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The estimation of positive and negative triplets via the representation theory

C. Giacovazzo, M. Camalli, R. Spagna, M. C. Burla, A. Nunzi and G. Polidori

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The residual functions R₂ and R₂^N as used in automated X-ray crystallography

W. Van Havere and A. T. H. Lenstra

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Hierarchy of translation groups at phase transitions and symmetry properties of reciprocal lattice

Y. Sh. Shekhtman and N. S. Afonikova

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X-ray determination of the degree of micro-stress relaxation in glass/crystalline composites

E. A. Levi, N. V. Belov and E. A. Pobedimskaya

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Electron microscopy of huanghoite

F.-h. Li, H.-j. Fan and T.-y. Yang

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A high ratio hydrido metal cluster: [Pt₅H₈(PBu₂^tPh)₅]

D. Gregson, J. A. K. Howard and J. L. Spencer

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Crystal morphology characteristics of liquid states

Yu. Smirnov and N. Morosova

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The crystal structure of a synthetic high silicon zeolite – Zsm-39

J. L. Schlenker, F. G. Dwyer, E. E. Jenkins, W. J. Rohrbaugh, G. T. Kokotailo and W. M. Meier

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Morphology and kinetic growth of α-TeO₂ crystals

R. M. Alijev, V. I. Popolitov and A. Ja. Shapiro

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Interaction of flux and flow in crystal growth

Yu. Smirnov

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High pressure X-ray diffraction study of actinides and actinide compounds by an energy-dispersive method

U. Benedict and W. B. Holzapfel

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Twinning by pseudo-merohedry in (NH₄)₂ZnCl₄

H. V. Koningsveld

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On the relation of binary system diagrams

N. L. Smirnova, E. M. Berzon, Yu. S. Konyaev and N. V. Belov

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Optical properties of cholesteric liquid crystals and their use in visual arts

D. Makow

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issue contents

August 1981 issue

Abstracts of the XII IUCr Congress

Ottawa, Canada, 16-25 August 1981

abstracts