Acta Crystallographica Section A: Foundations of Crystallography (Formerly: Crystal Physics, Diffraction, Theoretical and General Crystallography)
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
Table of contents
- 1
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Numerically stable algorithms for the computation of reduced unit cellsGrosse-Kunstleve, R. W. / Sauter, N. K. / Adams, P. D. et al. | 2003
- 7
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Topological density of nets: a direct calculationEon, Jean Guillaume et al. | 2003
- 19
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On a fast calculation of structure factors at a subatomic resolutionAfonine, P. V. / Urzhumtsev, A. et al. | 2003
- 33
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Ultra-high-angle double-crystal X-ray diffractometry (U-HADOX) for determining a change in the lattice spacing: experimentMunakata, Koji / Okazaki, Atsushi et al. | 2003
- 40
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A Fourier optics approach to the dynamical theory of X-ray diffraction – perfect crystalsMana, Giovanni / Montanari, Francesco et al. | 2003
- 51
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γ-ray and neutron diffraction studies of CoF2: magnetostriction, electron density and magnetic momentsJauch, W. / Reehuis, M. / Schultz, A. J. et al. | 2003
- 58
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Dispersion corrections of the copper K edge measured by Fresnel diffractionLee, Wah Keat / Cloetens, Peter / Schlenker, Michel et al. | 2003
- 64
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Phase-dependent polarization aspects of three-wave X-ray diffraction: an iterative Born approximationStetsko, Yuri P. / Lee, Yen Ru / Tang, Mau Tsu et al. | 2003
- 75
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First-principles calculations as a tool for structure validation in electron crystallographyWeirich, Thomas E. et al. | 2003
- 82
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Ab initio crystal structure determination using X-ray fluorescence holography for different noise levels: numerical simulation and analysisChukhovskii, F. N. / Poliakov, A. M. et al. | 2003
- 89
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Applied geminography – symmetry analysis of twinned crystals and definition of twinning by reticular polyholohedryNespolo, Massimo / Ferraris, Giovanni et al. | 2003
- 96
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Nominations for the Ewald PrizeDuax, W. L. / Larsen, S. et al. | 2003
- 97
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Notes for authors 2004Strickland, P. R. et al. | 2004
- 103
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Quantum Crystallography: Electron Density and Bonding, a MicrosymposiumManninen, Seppo et al. | 2004
- 104
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Spectral momentum densities in matter determined by electron scatteringWeigold, Erich / Kheifets, Anatoli S. / Sashin, Vladimir A. et al. | 2004
- 111
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Electron localization functions obtained from X-ray constrained Hartree–Fock wavefunctions for molecular crystals of ammonia, urea and alloxanJayatilaka, Dylan / Grimwood, Daniel et al. | 2004
- 120
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Time-dependent Takagi–Taupin eikonal theory of X-ray diffraction in rapidly changing crystal structuresAdams, Bernhard W. et al. | 2004
- 134
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Ab initio structure solution by charge flippingOszlányi, Gábor / Sütő, András et al. | 2004
- 142
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A five-dimensional model of dodecagonal Ta–Te quasicrystals with fractal occupation domainsYamamoto, Akiji et al. | 2004
- 146
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The crystallographic fast Fourier transform. IV. FFT-asymmetric units in the reciprocal spaceKudlicki, Andrzej / Rowicka, Maga / Otwinowski, Zbyszek et al. | 2004
- 153
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Statistical approach to the phase problemXu, Hongliang / Hauptman, Herbert A. et al. | 2004
- 158
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Hexagonal and trigonal sphere packings. II. Bivariant lattice complexesSowa, H. / Koch, E. et al. | 2004
- 167
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Magnetically ordered quasicrystals: enumeration of spin groups and calculation of magnetic selection rulesLifshitz, Ron / Even-Dar Mandel, Shahar et al. | 2004
- 179
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Symmetry of magnetically ordered three-dimensional octagonal quasicrystalsEven-Dar Mandel, Shahar / Lifshitz, Ron et al. | 2004
- 195
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`Exact' formulation for π-polarization waves of dynamical X-ray diffractionCho, Wondong / Huang, XianRong / Dudley, Michael et al. | 2004
- 198
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Integral latticesJanner, A. et al. | 2004
- 201
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A strict solution for the optimal superimposition of protein structuresChen, Chuanbo / Li, Qishen et al. | 2004
- 204
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A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large moleculesPichon-Pesme, Virginie / Jelsch, Christian / Guillot, Benoit et al. | 2004
- 209
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X-ray multiple-wave coherent interaction in a quasi-two-dimensional material NbSe2-2HDu, Chao Hung / Tang, Mau Tsu / Stetsko, Yuri P. et al. | 2004
- 214
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On the equivalence between a commonly used correlation coefficient and a least-squares functionJamrog, Diane C. / Zhang, Yin / Phillips Jr, George N. et al. | 2004
- 220
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Twinning by reticular pseudo-merohedry in trigonal, tetragonal and hexagonal crystalsGrimmer, Hans / Kunze, Karsten et al. | 2004
- 233
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Locating heavy atoms by integrating direct methods and SIR techniquesGiacovazzo, Carmelo / Moustiakimov, Marat / Siliqi, Dritan et al. | 2004
- 239
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Exceptional properties of some sphere packings in the general position of P6222Koch, E. / Sowa, H. et al. | 2004
- 246
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Minimal densities of cubic sphere-packing typesFischer, W. et al. | 2004
- 250
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Atomic displacement parameters and anisotropic thermal ellipsoid lengths and anglesKronenburg, M. J. et al. | 2004
- 257
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Crystal structures and cellular automataKrivovichev, Sergey V. et al. | 2004
- 263
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The structure of the cubic coincident site lattice rotation groupReed, Bryan W. / Minich, Roger W. / Rudd, Robert E. et al. | 2004
- 278
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A theorem on the fullerenes with no adjacent pentagonsVoytekhovsky, Yury L. / Stepenshchikov, Dmitry G. et al. | 2004
- 281
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Polarization factors in the symmetrical case of three-wave diffractionSheludko, Sergey et al. | 2004
- 283
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A Fourier optics approach to the dynamical theory of X-ray diffraction – continuously deformed crystalsMana, Giovanni / Palmisano, Carlo et al. | 2004
- 294
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SPEDEN: reconstructing single particles from their diffraction patternsHau-Riege, Stefan P. / Szoke, Hanna / Chapman, Henry N. et al. | 2004
- 306
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Solving the Sayre equations for centrosymmetric structures with a genetic algorithmZhou, Yi / Su, Wu Pei et al. | 2004
- 311
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Polyhedral truncations as eutactic transformationsTorres, M. / Aragón, J. L. / Gómez-Rodríguez, A. et al. | 2004
- 315
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Determination of standard uncertainties in fits to pair distribution functionsToby, Brian H. / Billinge, Simon J. L. et al. | 2004
- 318
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U4O9: atoms in general sites giving the hkl extinctions of special sitesPopa, N. C. / Willis, B. T. M. et al. | 2004
- 322
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Refinement of the structure of β-U4O9Cooper, R. I. / Willis, B. T. M. et al. | 2004
- 326
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Application of a modified Oszlányi and Süto ab initio charge-flipping algorithm to experimental dataWu, J. S. / Spence, J. C. H. / O'Keeffe, M. et al. | 2004
- 331
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Phasing diffuse scattering. Application of the SIR2002 algorithm to the non-crystallographic phase problemCarrozzini, B. / Cascarano, G. L / De Caro, L. et al. | 2004
- 339
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X-ray standing waves in a heterostructure: application to a Zn1−xCoxO epilayer on ZnO(00.1¯)–O substrateZheng, Y. / Boulliard, J. C. / Soyer, A. et al. | 2004
- 351
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A graphical representation of image quality for three-dimensional structure analysis of two-dimensional crystalsCheng, Anchi / Yeager, Mark et al. | 2004
- 357
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The interplay between experiment and theory in charge-density analysisCoppens, Philip / Volkov, Anatoliy et al. | 2004
- 365
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On the role of data quality in experimental charge-density studiesDestro, Riccardo / Loconte, Laura / Lo Presti, Leonardo et al. | 2004
- 371
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The charge density of urea from synchrotron diffraction dataBirkedal, Henrik / Madsen, Dennis / Mathiesen, Ragnvald H. et al. | 2004
- 382
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Synchrotron charge-density studies in materials chemistry: 16 K X-ray charge density of a new magnetic metal-organic framework material, [Mn2(C8H4O4)2(C3H7NO)2]Poulsen, R. D. / Bentien, A. / Graber, T. et al. | 2004
- 390
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High-resolution synchrotron data collection for charge-density work at 100 and 20 KLuger, Peter / Messerschmidt, Marc / Scheins, Stephan et al. | 2004
- 397
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Electron densities in relation to magnetism: γ-ray diffraction from transition-metal monoxides and difluoridesJauch, W. et al. | 2004
- 402
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Extinction-free electron diffraction refinement of bonding in SrTiO3Jiang, Bin / Friis, Jesper / Spence, John et al. | 2004
- 409
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Shadowing and absorption corrections of high-pressure powder diffraction data: toward accurate electron-density determinationsKatrusiak, Andrzej et al. | 2004
- 418
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On functions and quantities derived from the experimental electron densityTsirelson, Vladimir / Stash, Adam et al. | 2004
- 427
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The quantum topological electrostatic potential as a probe for functional group transferabilityPopelier, P. L. A. / Devereux, M. / Rafat, M. et al. | 2004
- 434
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Topological properties of the electron density of solids and molecules. Recent developments in OviedoLuaña, Víctor / Costales, Aurora / Mori-Sánchez, Paula et al. | 2004
- 438
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The local form of the source function as a fingerprint of strong and weak intra- and intermolecular interactionsGatti, Carlo / Bertini, Luca et al. | 2004
- 450
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The metal–insulator phase transition in mixed potassium–rubidium electro-sodalitesMadsen, Georg K. H. et al. | 2004
- 455
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Electron-density studies of molecular magnetic materialsPillet, Sébastien / Souhassou, Mohamed / Lecomte, Claude et al. | 2004
- 465
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Studies of electric field induced structural and electron-density modifications by X-ray diffractionHansen, Niels K. / Fertey, Pierre / Guillot, Régis et al. | 2004
- 472
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`In-situ' charge-density studies of photoinduced phenomena: possibilities for the future?Cole, Jacqueline M. et al. | 2004
- 480
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The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidineOvergaard, Jacob / Hibbs, David E. et al. | 2004
- 488
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Topological analyses and bond characterization of 1,3,5,7-tetra-tert-butyl-s-indacene: a weak Csp3—H...H—Csp2-type dihydrogen interactionWang, Chih Chieh / Tang, Ting Hua / Wu, Lai Chin et al. | 2004
- 494
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An experimental (120 K) and theoretical electron-density study of KMnO4 and KClO4Marabello, D. / Bianchi, R. / Gervasio, G. et al. | 2004
- 502
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Variable-temperature X-ray crystallographic studies: a complementary tool for charge-density investigation of soft (organometallic) bondsMacchi, Piero / Sironi, Angelo et al. | 2004
- 510
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Electronic structure of the nickel(II) complex of the Schiff base of (S)-N-(2-benzoylphenyl)-1-benzylprolinamide and glycineKožíšek, Jozef / Fronc, Marek / Skubák, Pavol et al. | 2004
- 517
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Three-periodic nets and tilings: minimal netsBonneau, Charlotte / Delgado-Friedrichs, Olaf / O'Keeffe, Michael et al. | 2004
- 521
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Formation of X-ray shift fringes and a new method for determination of the difference sign of interplanar distancesDrmeyan, H. R. et al. | 2004
- 525
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Refinement of the crystal structural parameters of the intermediate phase of h-BaTiO3 using convergent-beam electron diffractionOgata, Yoichiro / Tsuda, Kenji / Akishige, Yukikuni et al. | 2004
- 532
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Interlacing of growth steps on crystal surfaces as a consequence of crystallographic symmetryvan Enckevort, W. J.P. / Bennema, P. et al. | 2004
- 542
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Coordinate transformations in modern crystallographic computingRowicka, Malgorzata / Kudlicki, Andrzej / Zelinka, Jan et al. | 2004
- 550
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Modeling of the nuclear parameters for H atoms in X-ray charge-density studiesMadsen, Anders Østergaard / Sørensen, Henning Osholm / Flensburg, Claus et al. | 2004
- 562
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Precise analysis of the components of diffraction by cylindrical crystalsHu, Hua Chen / Yang, Zhen et al. | 2004
- 565
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Effects of near-neighbor correlations on the diffuse scattering from a one-dimensional paracrystalLeroy, Frédéric / Lazzari, Rémi / Renaud, Gilles et al. | 2004
- 582
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On the real crystal rhombododecahedraVoytekhovsky, Yury L. / Stepenshchikov, Dmitry G. et al. | 2004
- 585
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Three exit beams from a single (hkl) X-ray diffraction planeKakuno, Edson M. / Cusatis, Cesar et al. | 2004
- 591
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Lattice imaging in low-angle and high-angle bright-field scanning transmission electron microscopyWatanabe, K. / Kikuchi, Y. / Yamazaki, T. et al. | 2004
- 598
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High-q-resolution neutron scattering technique using triple-axis spectrometersXu, Guangyong / Gehring, P. M. / Ghosh, V. J. et al. | 2004
- 604
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Ab initio determination of incommensurately modulated structures by charge flipping in superspacePalatinus, Lukáš et al. | 2004
- 611
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Zones and sublattices of integral latticesJanner, A. et al. | 2004
- 621
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Molecular crystal global phase diagrams. I. Method of constructionMettes, Jonathan A. / Keith, J. Brandon / McClurg, Richard B. et al. | 2004
- 637
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Space-group scanning tablesLitvin, Daniel B. / Kopský, Vojtech et al. | 2004
- 638
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Response to the paper A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules, by Pichon-Pesme, Jelsch, Guillot & Lecomte (2004)Volkov, Anatoliy / Koritsanszky, Tibor / Li, Xue et al. | 2004
- 640
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A strict solution for the optimal superimposition of protein structures. RetractionChen, Chuanbo / Li, Qishen et al. | 2004
- 643
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Prices of IUCr journalsDacombe, M. H. et al. | 2004