Acta Crystallographica Section A
Acta Crystallographica
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FOUNDATIONS
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Volume 56| Part s1

ISSN: 2053-2733

August 2000 issue

Abstracts of the Nineteenth European Crystallographic Meeting

Nancy, France, 25-31 August 2000

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abstracts

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Decoding the genetic information on the ribosome at close to atomic resolution

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Information transfer in proteins: combining crystallographic and genomic approaches

L. Moulinet, O. Poch, J. C. Thierry and D. Moras

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Ab Initio Prediction of Crystal Structures

B. P. van Eijck

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Structural Phase Transitions of Simple Metals under Pressure

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Structural Features and Instabilities in Low Dimensional Conductors

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The Probabilistic Theory of the Structure Invariants Assuming a Substructure to be Known

H. Hauptman and H. Xu

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X-ray diffraction, an efficient tool for industry: the case of Cosmetic Research

J. L. Lévêque

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Femtosecond imaging of biomolecules by X-rays

R. Neutze, R. Wouts, D. van der Spoel, E. Weckert and J. Hajdu

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Modular aspects in mineral and inorganic structures

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The phase problem at medium resolution

P. Main, J. Wilson and G. Reynolds

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State of the art of structure analysis using powder diffraction data

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The structure of a bacterial 30S ribosomal subunit

V. Ramakrishnan, D. Brodersen, A. P. Carter, W. M. Clemons Jr, R. Morgan-Warren and B. T. Wimberly

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Intermolecular interactions involving halogen substituents

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Superspace Description of Incommensurate and Commensurate Structures beyond the Perturbative /Modulation Approach

J. M. Perez-Mato

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Aperiodicities in 2201 and 2212 cuprates, ferrites and cobaltites: differences and similarities

D. Grebille, O. Pérez, N. Jakubowicz and H. Leligny

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Refinement of Modulated Structures against Powder Diffraction Data with JANA

M. Wunschel, R. E. Dinnebier, S. van Smaalen, M. Dusek and V. Petricek

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The crystal geometry of modulation waves and the thermal expansion anomalies in IC phases

V. Shekhtman and B. Bagautdinov

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Cluster covering of dodecagonal and related structures

S. I. Ben-Abraham, P. Gummelt, R. Lück and F. Gähler

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DFT calculations on KTiOPO₄ (KTP) used in nonlinear optics

K. Schwarz, P. Blaha, P. Delarue, C. Lecomte, V. Jennings and P. A. Thomas

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Experimental charge densities of novel thermoelectric clathrate materials

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Charge density analysis in semiconducting charge transfer complexes: a comparison between experiment and DFT calculations

C. Katan, P. Rabiller, L. Toupet, M. Souhassou, N. Hansen and C. Lecomte

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Spin densities in new molecular magnetic compounds

B. Gillon and J. A. Stride

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Electron density distribution in stishovite, SiO₂: a high energy synchrotron radiation study

A. Kirfel and T. Lippmann

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Making use of experimental charge densities

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Exploiting the theoretical electron and spin densities

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Application of the theory of atoms in molecules in the critical analysis of the experimental charge density model

A. Volkov, Yu. Abramov and P. Coppens

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A Charge Density Study on Vitamin B12

B. Dittrich, A. Wagner, P. Luger, T. Koritsánsky, H. G. Krane and H. Schmidt

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Electron correlation effects through analysis of electron densities

S. Ragot, P. J. Becker and J. M. Gillet

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Ab Initio Crystal Structures Solution of Macromolecules

M. C. Burla, M. Camalli, B. Carrozzini, G. Cascarano, C. Giacovazzo, G. Polidori and R. Spagna

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Refinement of Twinned Structures with SHELXL-97

R. Herbst-Irmer

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Structure Validation: A Moving Target

D. J. Watkin, R. Cooper and C. K. Prout

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Structure Solution with PATSEE: Where are the limits?

K. Wagner, S. Rühl and E. Egert

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Twinning in Chemical Crystallography: How to Discover what is Disguised

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Modelling and Refinement in Crystallography: An Overview

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Incommensurate structures: modeling beyond the 3rd dimension

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From modeling and refinement to refinement with modeling

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From maps to molecules in minutes

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ARP/wARP: Procedures for automated model building and refinement

A. Perrakis, R. Morris and V. Lamzin

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Interference phenomena in X-ray Scattering. Physics, Methodology, Application to phase - sensitive measurements

M. V. Kovalchuk and S. Zheludeva

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Focused X-ray Beams: A Renaissance in Laboratory-Based Diffraction Experiments

B. K. Tanner, M. Taylor, J. Wall, N. Loxley, L. Pina and D. K. Bowen

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Basics and Modern Applications of 2-D Bent Crystals

E. Förster, I. Uschmann and O. Wehrhan

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Imaging using Bragg and Fresnel diffraction of hard X-rays

P. Cloetens, W. Ludwig, J. P. Guigay, P. Rejmánková-Pernot, J. Baruchel and M. Schlenker

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Short and long-range order at surfaces probed by surface X-ray diffuse scattering

M. Sauvage-Simkin, Y. Garreau, K. Aïd, N. Jedrecy and R. Pinchaux

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HRTEM contribution to the reactivity of rock-forming silicates

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Structure determination from electron diffraction intensities: practical applications in materials science

J. Gjonnes, V. Hansen and K. Gjonnes

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Microstructures of Polygonal Serpentines from HRTEM Imaging, Electron Diffraction, and Simulation Data

B. Devouard and A. Baronnet

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The investigation of structural defects in rare-earth yttrium aluminium garnets

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The new electron diffraction method for investigation of crystals with low symmetry

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Strain and Morphology in Nano-Patterned Semiconductors

T. Baumbach, D. Lübbert, C. Giannini and J. Eymery

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Detection and chemical analysis of nanophases at grain boundaries by high resolution and energy filtered electron microscopy

J. M. Pénisson, M. Bacia and T. Vystavel

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The new analytical high-resolution electron microscopes - the perfect tool for nanoscience

L. R. Wallenberg

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Total external fluorescence and XRSW study of multilayer nanostructures

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Characterization of binary and ternary fuel cell catalysts by XRD and TEM

C. Roth, N. Martz and H. Fuess

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Crystal Structure and Morphology of Polymers

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Electron Crystallography on small organic molecules with high NLO activity

U. Kolb, G. Nosova and I. G. Voigt-Martin

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Solving and Refining Crystal Structures Using Electron Diffraction Data

C. J. Gilmore and A. Stewart

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Electron Powder Diffraction - An old topic rediscovered for structure determination of nanocrystalline materials

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TEM investigations on microcrystalline SiO₂

C. Wahl, G. Miehe and H. Fuess

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Recent developments in the realization of a practical pressure scale for extreme conditions

W. B. Holzapfel

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Advances in high-pressure experiments combining XAS, temperature scans, and ESXD

A. Filipponi, P. Itiè and A. Di Cicco

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Structural transitions related to magnetic phenomena under high pressure

G. Kh. Rozenberg and M. P. Pasternak

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Low temperature structural studies of molecular crystals under pressure. X-ray diffraction equipment for (P+T) phase diagram investigations

Y. Barrans, J. Gaultier, D. Le Pevelen, P. Guionneau and D. Chasseau

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Structure of Liquids at High Pressure Probed by X-ray Diffraction

M. Mezouar, S. Bauchau and G. Blattman

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High-Pressure powder crystallography using synchrotron- and neutron-radiation

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The chemical bond under high pressure and at high temperature: semiconductor to metal transition in covalent systems

J.-P. Gaspard and J.-Y. Raty

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Structural and Thermodynamic Properties of Hydrogen-Bonded Solids

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Neutron Diffraction Study of ND₄I and ND₄Br Structure at High Pressure and Low Temperature

D. P. Kozlenko, B. N. Savenko, V. P. Glazkov, V. A. Somenkov and S. Hull

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High-pressure synthesis of the high-Tc mercury cuprates: an in-situ synchrotron diffraction study

P. Bordet, S. LeFloch, C. Bougerol-Chaillout, M. F. Gorius, A. Prat and M. Mezouar

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Technical Advances for Time Resolved Studies in Materials Sciences

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Picosecond time-resolved X-ray diffraction of the short living excited states of electron-transfer compounds

S. Techert, F. Schotte, H. Staerk, K. A. Zachariasse and M. Wulff

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In situ studies of zeolite dehydration reactions

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X-ray microbeam diffraction: Rapid multilength- scale characterization spanning micrometers to millimeters

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Application of electron back-scatter diffraction to grain boundary surfaces

V. Randle, H. Davies, R. Wilson and I. Pearce

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Local Structural Characterization within Polycrystalline Bulk Materials by High Energy Synchrotron Radiation

U. Lienert, H. F. Poulsen, D. Juul Jensen, E. M. Lauridsen, S. F. Nielsen and L. Margulies

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Structural and analytical characterization of semiconductor quantum structures by TEM

W. Neumann, R. Schneider and H. Kirmse

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TEM investigation of catalysts for the direct oxidation of methanol in membrane fuel cells

N. Martz, C. Roth and H. Fuess

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Overview of Internet technologies and remote use of applications

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Using the WWW to construct Graphic User Inter-faces to Remote Applications

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The Genetic Diversity of available Crystallographic software freely obtainable via the internet

L. M. D. Cranswick

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Maud: a Rietveld analysis program designed for the internet and experiment integration

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Teaching Diffraction Using Computer Simulations over the Internet

Th. Proffen and R. B. Neder

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How much have systematic studies on protein crystallization influenced current practices in protein crystallography

M. Budayova-Spano and J. C. Fontecilla-Camps

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Novel Cryo-cooling techniques

S. Panjikar, A. Riboldi-Tunnicliffe and R. Hilgenfeld

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Gearing Up for Structural Genomics: The Challenge of Hundreds of Proteins and Hundreds of Thousands of Crystallization Experiments Per Year

J. R. Luft, J. Wolfley, R. Collins, M. Bianca, D. Weeks, I. Jurisica, P. Rogers, J. Glasgow, S. Fortier and G. T. DeTitta

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Crystallization of Aldose Reductase leading to Single Wavelength (0.66 Å) and MAD (0.9 Å) subatomic resolution studies

E. I. Howard, R. Cachau, A. Mitschler, P. Barth, B. Chevrier, V. Lamour, A. Joachimiak, R. Sanishvili, M. Van Zandt, D. Moras and A. Podjarny

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A novel, fusion protein strategy for membrane protein crystallization

B. Byrne, M. Jormakka, J. Abramson and S. Iwata

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Round-Table Discussion: Crystallography in Africa

J. Boyens, A. Thalal, F. Allen, L. Aslanov and G. Kamau

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Moroccan crystallography situation

A. Thalal, B. Tanouti and N. Bouhmaida

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Synthesis, structure and electrochemistry of substituted heteropolyanions

I. M. Mbomekalle, E. Ngameni, S. Ponou and Y. A. Mbiangue

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Anomalous Diffraction with Soft X-ray Synchrotron Radiation

P. Carpentier, C. Berthet-Colominas, M. Capitan, M.-L. Chesne, E. Fanchon, R. Kahn, S. Lequien, H. Stuhrmann, D. Thiaudière, J. Vicat and P. Zielinski

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A combined anomalous scattering and direct methods approach to solve apocrustacyanin proteins (C₁ and A₁)

A. Olczak, M. Cianci, J. Raftery, P. J. Rizkallah, D. Moorcroft, E. J. Gordon, S. McSweeney, N. E. Chayen, P. Zagalsky and J. R. Helliwell

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Anomalous Dispersion Experiments in Microporous Materials Crystallography

V. Kaucic, N. Zabukovec Logar, M. Helliwell and J. R. Helliwell

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Use of map connectivity properties in macromolecular ab-initio phasing

N. L. Lunina, V. Y. Lunin and A. G. Urzhumtsev

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Thermal Neutron Laue Diffraction Using the Diffractometer LADI at the ILL

J. A. Cowan, G. J. McIntyre, C. Wilkinson, D. D. A. Myles and J. A. K. Howard

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Resonant X-ray Scattering: Applications to the study of magnetism

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Anisotropy of resonance X-ray scattering and forbidden reflections in c