This is an archive of the official website for the IUCrXVIII Congress at Glasgow in 1999. Some images and text may be missing and some links no longer work.



Welcome

General Information

Important Dates

Committees

Programme

Microsymposia

Posters

Thursday 5th
Friday 6th
Saturday 7th
Sunday 8th
Monday 9th
Wednesday 11th
Thursday 12th
Friday 13th

Room Bookings

Open Commission
Meetings

Satellites

Workshops

Abstract Submission

Programme Categories

Registration

Accommodation

Social Events

General Assembly
Papers

Exhibition

Sponsors


    Poster Titles

    M.A. Leech

    P08.01.001

    Ultra Low Temperature Crystallography using an Oxford Cryosystems Helix Open-Flow Helium Cryostat

    J.F. Bickley

    P08.01.002

    Low Temperature X-ray Structure Determination using Compressed Air Instead of Liquid Nitrogen

    F. Wien

    P08.01.003

    A Portable Cryostream to Transfer Crystals

    C. Mensing

    P08.01.004

    Development of a Cooling System for Single Crystal Measurements at 4 K

    A.K. Mukherjee

    P08.02.002

    Disorder in Crystallography

    A.D. Rae

    P08.02.003

    Constrained Refinement of Commensurately Modulated Dimethyltin Dichloride Dibenzyl Sulfoxide

    P.T. Beurskens

    P08.02.004

    The R2-Criterion as a Figure of Merit in Patterson Applications

    R.G. Hazell

    P08.02.005

    Pseudosymmetry and Structures with More Than One Molecule in the Asymmetric Unit

    J. Kopf

    P08.02.005

    Refinement of Two Twinned Single Crystals

    M. Ruf

    P08.02.008

    Absorption Correction of CCD-Data from WB (Lin.Abs.Coeff. = 1370 cm–1)

    F. Belaj

    P08.02.009

    Disorder and Twinning of the Reaction Products of Melamine and PCl5

    R.M. Kirchner

    P08.02.010

    Structural Characterisation of the Faulted Phi-Type Zeolite LZ-276

    J.F. Van der
    Maelen Uría

    P08.03.001

    A Comparative Study of Some Absorption Correction Programs

    C. Dong

    P08.03.002

    POWDERX–A Windows95-Based Program for Powder X-ray Diffraction Data Processing

    K. Okada

    P08.03.003

    DIRECT-SEARCHER Automatic System (Version 4) for Some Organic Compounds Running on PC’s

    S. Parkin

    P08.03.004

    Anisotropic Crystal Structure Validation Statistics: The R-Tensor

    D.J. Watkin

    P08.03.005

    Squidgy Electrons, Shaking the Atoms and Dust in the Structure

    J. Rodríguez-Carvajal

    P08.03.006

    New Features of the Program FULLPROF

    T. Ida

    P08.03.007

    Peak Profile Function for Powder Diffractometry with Bragg-Brentano Geometry

    N. Tanaka

    P08.03.008

    A New Idea on the Molecular Replacement Method for Protein Crystallography

    S. Parthasarathy

    P08.03.009

    A Fortran Program for Choosing Reflection-Sets in an Optimum Way for Cross-Validation Calculation

    R. Grothe

    P08.03.010

    Towards Improved Refinement with an Ensemble-Averaged Potential

    J.M. Cole

    P08.03.011

    Quantitative Analysis of Anomalous Atomic Thermal Motion in an Organic Non-Linear Optical Material

    T. Csoka

    P08.03.012

    Structure Determination from Powder Diffraction Data by Use of a Swarm Algorithm

    K. Shankland

    P08.03.013

    A Parallel Computer for a Genetic Algorithm Based Crystal Structure Solution Program

    F.C. Bernstein

    P08.03.014

    Graphical Representation of Alternate Conformers

    D.J. Duchamp

    P08.03.015

    Software for Analysis and Manipulation of Crystal Structures

    T. Shao Fan Lin

    P08.03.016

    A Modelling System of Molecular Used on Microcomputer

    A. Philippsen

    P08.03.017

    DINO, a Visualisation System for Structural Data

    G. Raabe

    P08.03.020

    Comparison of Molecular Structures Determined by X-Ray Methods with the Results Quantum Chemical Calculations

    R. Spagna

    P08.03.021

    Analysis of Weighting Schemes

    S. Wang

    P08.04.001

    Serine Proteases Interactions with Ecotin: A General Serine Protease Inhibitor from E. Coli

    M. Vlassi

    P08.04.002

    The Loss of Hydrophobic Core Packing Interactions is Strongly Correlated to the Loss of Protein Stability

    P.K. Fyfe

    P08.04.003

    Structural Studies of Ubiquinone Binding Sites in Bacterial Photosynthetic Reaction Centres

    K.E. McAuley

    P08.04.004

    Specific Binding of Cardiolipin to an Integral Membrane Protein

    R. Battistutta

    P08.04.005

    Crystal Structure of the Mutant F99S/M153T/V163A of the Green Fluorescent Protein

    Z. Nurachman

    P08.04.006

    Study on Carboxyl-Terminal Modified Thermostable 3-Isopropylmalate dehydrogenase Structure

    Y. Yamagata

    P08.04.007

    Relationships Between Structure and Stability in Mutant Human Lysozymes

    J. Aÿ

    P08.04.008

    Stability of a Jellyroll Fold: Crystal Structure of the Bacillus Hybrid Enzyme GluXyn-1

    K.A. McKendrick

    P08.04.009

    Structural Studies of a Photosynthetic Reaction Centre Hydrogen Bonding Mutant

    T. Kajander

    P08.04.010

    Buried Charge in Proteins: Hydrophobic Mutations in Muconate Lactonizing Enzyme

    A. Shaw

    P08.04.011

    Harvesting Natures Diversity to Improve Protein Stability

    T.I. Zarembinski

    P08.04.012

    Structure-Based Assignment of Biochemical Function of a Hypothetical Protein: A Test Case of Structural Genomics

    T.S. Peat

    P08.04.013

    Proteomics and the Shotgun Approach to Structure

    V.V. Gritsenko

    P08.06.001

    Pseudosymmetry in Fullerene Compounds

    D. Zobel

    P08.06.002

    Structure and Charge Density Studies of a C60-Fullerene Derivative with Different Solvents

    Y.L. Slovokhotov

    P08.06.003

    Why Fullerene Structures Are Bad? New Results of X-ray Diffraction Studies

    G.G. Alexandrov

    P08.06.004

    Supramolecular Architecture of Crown Ether Styryl Dyes from X-ray Crystal Structure Analysis

    T. Gérczei

    P08.06.005

    Enantiomeric Recognition of (R)- and (S)-alpha-(naphthyl)-ethyl amine by Crown Ethers

    M. Czugler

    P08.06.006

    Insects, Spiders, Inclusions and Other Curiosities: Sexipedal and Octapedal Host Molecules

    A.T. Gubaidullin

    P08.06.007

    Calix-[4]-resorcinarenes–Self-Association and Crystal Packing

    O.E. Piro

    P08.06.008

    Structures of a p-tert-Butyl calix-[4]-arene Derivative and its Sodium Complex

    I. Matijasic

    P08.06.009

    Structural Study of Dibenzo-30-Crown-10 Complexes

    P. Müller

    P08.06.010

    Holes in Crystals?

    L. Sudha

    P08.06.012

    DNA Binding Studies on Quinolones by Spectroscopic Methods

    A.Y. Kovalevsky

    P08.06.013

    Conformational Analysis of Naphthoylene Imides Model Compounds of Rigid-Chain Heterocyclic Polymers

    K.V. Arjuna Gowda

    P08.06.014

    Crystal Structure Studies on Fluorinated Benzylidene Anilines

    S.M. Aldoshin

    P08.06.015

    Structure and Mechanism of Photochemical and Photophysical Transformation of New Spirooxazines and 2r-Chromenes

    S. Bourne

    P08.06.016

    Influence of Hydrogen Bonding on Conformation of Phosphoryl Compounds in Solution and Solid State

    K. Hori

    P08.06.018

    Local Arrangements of Ester Linkages in Crystals

    M.R. Taylor

    P08.06.019

    Molecular Modelling, Crystal and Molecular Structures of Some N-Acylisoxazol-5(2H)-ones

    A. Katrusiak

    P08.06.020

    Crystal Structures of 6–chloro–4–hydrazine–2–phenyl–3–pyridazinone

    S. Ghosh

    P08.06.021

    Crystal Structure of a Mesogenic Compound : p-Butoxyphenyl–trans–4–Propylcyclohexane carboxylate

    K.. Hansongnern

    P08.06.022

    Molecular Structure of 2–(4¢N,N–Diethylaminophenylazo)pyridine

    K.J. Haller

    P08.06.023

    Molecular Structure of the Zwitterionic 4–hydroxy–N–methyl L-proline

    H. Phetmung

    P08.07.001

    Adamantane-Like Cage Tertiary Phosphine Ligands: Molecular Mechanics and Crystallography Studies

    W.I. Cross

    P08.07.002

    Anion and Guest Molecule Sites Within the Tunnels and Cavities of ‘Chinese Lantern’ Crystals

    D. Ellis

    P08.07.003

    Crystal Structures of Novel Carborane Complexes

    C.B. Pinheiro

    P08.09.001

    Structural Study of LiKSO4 at High Temperature

    D.Z. Grabco

    P08.09.004

    Structural Relationship Between Cathodoluminescence and Dislocation Rozettes by Microindentation

    G. Mostafa

    P08.09.005

    A Disordered Phase of Manganous Fluosilicate Hexahydrate at High Temperature

    D.K. Arkhipenko

    P08.09.006

    Destruction Models of Some Layer Minerals

    O. Ohtaka

    P08.09.007

    Phase Relations of ZrO2 Under High Pressure and Temperature

    P. Scheuermann

    P08.09.008

    Ca3TiSi2(Al2Si0.5Ti0.5)O14, a New High-Pressure Phase in a Petrologic Relevant System

    D. Levy

    P08.09.009

    Structural Changes of ZnFe2O4 at High Pressure

    T. Arlt

    P08.09.010

    High-Pressure Phase Transition in Spodumene LiAlSi2O6

    S. Hull

    P08.09.011

    Structural Changes in TlF with Temperature and Pressure

    P. Berastegui

    P08.09.012

    High Temperature Superionic Phases in the (PbF2)(1-x)–(MF)x, Systems with M = K, Rb and Cs

    S.L. Cuffini

    P08.09.013

    High Temperature Structure Transitions of SrHfO3

    W. Depmeier

    P08.09.015

    High Pressure Studies on Chalgogenide Misfit Layer Structures, and Their Component Structures

    N.V. Zubkova

    P08.09.016

    Complex Oxides with Octahedral Frameworks: Lewisite and Loparite

    T.D. Lam

    P08.10.001

    LiMn2O4, LiMxMn(2-x)O4 Cathode Materials: Synthesis of Bulk Materials by Sol-Gel and Fabrication of Thin Films by Electron Beam, Thermal Evaporations and Spray Pyrolysis

    L.A. Chernozatonskii

    P08.10.002

    Polymers of Single Wall Nanotubes: Geometry and Diffraction Pattern Modelling

    M. Terrones

    P08.10.003

    A New Form of Crystalline Layered Carbon: Characterisation, Stability and Electronic Properties

    R.P. Gunawardane

    P08.10.004

    Structural Studies on Some Ionic and Mixed Conductors Based on Li4GeO4

    T. Atake

    P08.10.005

    Defect Structure and Lattice Heat Capacity of Zirconia

    K. Edström

    P08.10.006

    In Situ XRD Studies of Graphite Electrodes in the Li-Ion Battery

    T. Kamiyama

    P08.10.007

    Structure of Cathode and its Relation to Capacity Fade in Li-Spinel Battery

    S. Giraud

    P08.10.009

    Fluorite Related Superstructure of a New Oxyphosphate of Lead and Bismuth : Pb4Bi19P4O42.5

    C.K. Lowe-Ma

    P08.10.010

    The Challenge of X-ray Diffraction Residual Stress Measurements on Helical Compression Springs

    M. Eber

    P08.11.001

    X-ray Reflectivity Characterisation of Architectural Coatings on Glass

    Y.F. Yano

    P08.11.002

    Construction of an X-ray Reflection System for Liquid-Vapor Interfaces using an Imaging Plate

    I. Takahashi

    P08.11.003

    Drastic Deformation of Epitaxial Micro-Crystals in Thermally Oxidised Layer on Ultra-Thin Si(001)

    Y. Maeda

    P08.11.004

    Schiller Layers in b-Ferric Oxy-Hydroxide Sol as an Order-Disorder Phase Separating System

    J.W. White

    P08.11.005

    Growth of Highly Crystalline Silicate Films at the Air Water Interface

    H. Maeda

    P08.11.006

    An Atomic Force Microscopy Study for Ordered Assemblies of Rod-Like Molecules Formed on Glass Substrates

    J. Ye

    P08.19.003

    Pressure Induced Tc and Structural Variations of PrBa2Cu3Ox Superconductor

    R.S. Kumar

    P08.19.004

    High Pressure Studies of Vanadium Doped Bi 2212 System

    T. Bovornratanaraks

    P08.19.005

    High-Pressure Structural Studies of Strontium

    Y. Ohishi

    P08.19.006

    Accurate Structure Analyses of Cs High Pressure Phases using Sr Undulator Beam at Spring-8

    O.L. Makarova

    P08.19.009

    Magnetic and Crystal Structure of the Laves Hydrides. Influence of Chemical Substitution and Applied Pressure

    J.S. Loveday

    P08.19.010

    High Pressure Structural Studies of Ices and Ice Mixtures

    M. Sundberg

    P08.19.011

    The Crystal Structures of Two High-Pressure Polymorphs of Ta2O5

    H. Schulz

    P08.19.012

    Compressibility, Phase Transition and Structure of NOSEAN at High Pressure

    K. Sato

    P08.19.013

    Structure Analysis of Non-Molecular Phase of SNi4 using Anomalous X-ray Scattering at High Pressure

    R.J. Nelmes

    P08.19.014

    Structures and Transitions in Barium Above 12 GPa: A Solution for Ba-IV

    T. Yamanaka

    P08.19.015

    High-Pressure Structure Variation of Spin-Peierls Crystal CuGeO3

    S. Carlson

    P08.19.016

    High Pressure Studies of NbO2F

    S.R. Shieh

    P08.19.018

    In-Situ High Pressure X-ray Diffraction Study on CuGeO3

    S. Desgreniers

    P08.19.019

    On the Pressure-Induced Crystalline-to-Amorphous Transition in Bismuth Oxide

    A. Katrusiak

    P08.19.020

    Modelling Transformations of Hydrogen-Bonded Structures at High Pressures

    L. Marques

    P08.19.021

    On the Origin of ‘Debye-Scherrer Ellipses’ from 3-D Fullerene Polymers

    M.I. McMahon

    P08.19.022

    Experimental and Computational Studies of InSb-IV

    D. Gómez

    P08.19.023

    X-ray Diffraction Study of Dilute Magnetic Semiconductors (DMS) Under High Pressure Part I: ZnxCo(1-x)S

    M. Tovar

    P08.19.024

    Phase Transition in CaCuGe2O6

    A. Chanda

    P08.24.001

    Characterisation of the Micro-Structures of Isothermally Transformed Martensite at Low Temperature in Fe-23 Ni-3.6Mn Alloy by Rietveld's Method

    M. De

    P08.24.002

    X-ray Studies on the Kinetics of Microstructural Evolution of Ni3Al Synthesised by Ball-Milled Elemental Powders

    P. Dasgupta

    P08.24.003

    A Few Comments on Pseudovoigt Profiles

    D. Louër

    P08.24.004

    Microstructure and Growth Kinetics of Nanoscale Crystallites Obtained from Hydrated Cerium Oxides

    S.P. Sen Gupta

    P08.24.005

    On the Reliability and Applicability of Profile Fitting Method: A Case Study

    A. Preisinger

    P08.24.006

    In-Situ High Temperature X-ray Analysis of MgO-CaO-Rich Basic Refractories Up to 1600°C in Air

    K. Vyas

    P08.24.008

    Absolute Configuration of Ramipril Intermediate

    A. Sivalakshmidevi

    P08.24.009

    Crystal Structure of Peroxetine Intermediate

    K. Shashi Rekha

    P08.24.010

    Crystal Structure of Quinazolinone Derivative

    N.N. Tsou

    P08.24.011

    Crystal Structures of Rizatriptan Benzoate and Some Analogues

    M. Suresh Kumar

    P08.24.012

    Conformational Features of Some Diazapine Molecules

    M.N. Ponnuswamy

    P08.24.013

    Conformational Aspects of Some Piperidin-4-ones

    D. Kumaran

    P08.24.014

    Structure and Conformation of Some Aza Bicyclic Ring Compounds

    Y.R. Kumar

    P08.24.015

    Crystal Structure of 9–Deoxo–9–[2¢ ¢ –oxopropyl]podophyllo toxin

    F. Gu

    P08.24.016

    Structures of a Hydroxamic Acid Inhibitor Complexed with MMP1, MMP3, and MMP13

    P. Chakrabarti

    P08.AA.001

    Explanations for a-Helix and b-Sheet Propensities Based on Conformational Features

    R.J. Morris

    P08.AA.002

    A Brute Force Pattern Recognition Algorithm

    M. Eisenstein

    P08.AA.003

    Electrostatics in Protein-Protein Docking

    J. Badger

    P08.BB.001

    Improved Methods for Crystallographic Energy Minimisation

    J.J. Rux

    P08.BB.002

    Maximum Likelihood Refinement of Adenovirus Type 5 Hexon with TNT

    R. Miletich

    P08.CC.001

    The "Eth Diamond-Anvil Cell" Design for Single-Crystal XRD at Non-Ambient PT Conditions

    G.L. Chiarotti

    P08.CC.002

    Iron at Earth's Core Conditions: An ab initio Simulation Study

    A.K. Singh

    P08.CC.003

    Lattice Strains Under Non-Hydrostatic Compression: A Discussion of the Assumptions in the Theory

    N.A. Dubrovinskaia

    P08.CC.004

    X-ray In situ Studies of some Refractory Oxides, Carbides, Metals and Alloys at High P-T Conditions

    G. Weck

    P08.CC.005

    Structural Studies of Oxygen at High Pressure by the Single-Crystal Technique

    L. Zhang

    P08.CC.006

    Comparative Crystal Chemistry of Some Silicates at Very High Pressures

    W. Utsumi

    P08.CC.007

    In Situ X-ray Diffraction Study of Diamond Synthesis using Catalysts Under High Pressures

    M. Ermrich

    P08.CC.008

    Some Aspects How to Prepare and to Carry Out a High Temperature Measurement

    B. Grzeta

    P08.DD.001

    Quantitative Phase Analysis using the Reference Intensities or the Whole XRD Pattern

    I.C. Madsen

    P08.DD.002

    Final Outcomes of the IUCr CPD Round Robin on Quantitative Phase Analysis

    A. Razeto

    P08.FF.001

    Lysine Replacing Histidine in the Acid-Base Catalysis of D-Lactate Dehydrogenase

    B. Dalhus

    P08.FF.002

    Structural Rationale for the Spontaneous Resolution of D-L-Allo-Isoleucine

    H.A. Ernst

    P08.FF.003

    Resolution of Racemic Alcohols Via Diastereomeric Salt Formation

    S.R. Hall

    P08.JR.006

    Recent Section C Initiatives: Automatic Data Validation and Electronic Publication

    Y. Bourne

    P08.OB.001

    A Looooooooong C Axis; Not a Virus, though (I like the title; your typesetter).

    E. Ciszak

    P08.OB.003

    First Results from a Novel Microfocus X-ray Generator for X-ray Crystallography

    N.R. Serebryanaya

    P08.OC.001

    Polymerised Structures of C60 and C70 Superhard Phases

    C. Vanpeteghem

    P08.OC.002

    Structural Studies of Semiconductors at High Pressure and High Temperature

    V.F. Degtyareva

    P08.OC.003

    Effect of High Pressure and Chemical Substitution on Structure of Tetravalent Metals

    D. Gourdain

    P08.OC.004

    Phase Diagram of KNbO3 Up to 30 GPa and from 700 K Down to 10 K

    M. Guthrie

    P08.OC.005

    Neutron Diffraction Studies of the Hydrogen Bond Under High Pressure

    J. Haines

    P08.OC.006

    Structural Evolution of Rutile-Type and CaCl2-Type Germanium Dioxide at High Pressure

    G.K. Rozenberg

    P08.OC.007

    Structure of the High-Pressure Phase of Fe2O3

    S. Werner

    P08.OC.008

    Phase Transitions and Crystal Structures of Two Ionic Conductors at High Pressure

    J.L. Finney

    P08.OC.009

    Pressure Dependence of Structure and Composition in the Xenon Hydrate System

    O. Degtyareva

    P08.OC.010

    High Pressure Phase Diagrams of Binary Lanthanide Alloys Between La, Ce, and Pr

    T. Nagai

    P08.OC.011

    Pressure Dependence of Octahedral Regularity on Ca(OH)2, Mg(OH)2 and Co(OH)2

    D.R. Allan

    P08.OC.012

    The High-Pressure Crystal Structures of the Fundamental Alcohols and Carboxylic Acids

    R.J. Angel

    P08.OC.014

    High-Pressure Phase Transition in Lead Phosphate, Pb3(PO4)2

    D.D. Klug

    P08.OC.015

    Theoretical Studies of the Structures and Properties of High Pressure Forms of Pon

    V.B. Begoulev

    P08.OC.016

    New High Pressure Phase of PbS

    R.J. Hemley

    P08.OC.019

    High-Pressure Structural and Electronic Transitions of Transition Metal Oxides

    H.K. Mao

    P08.OC.020

    Multimegabar Combinatorial Studies of Equations of State and Pressure Scale

    M. Mezouar

    P08.OC.021

    X-ray Studies of Disordered Systems at Hp-Ht using the P-E Press and a Multichannel Collimator

    R. Černý

    P08.OD.001

    Dislocations in LaNi(5-x)Mx (M = Co, Mn, Al, Sn) Studied by X-ray Diffraction Line Broadening

    J. Gubicza

    P08.OD.002

    X-ray Line Profile Analysis of Nanocrystalline Silicon Nitride

    D. Balzar

    P08.OD.003

    Precipitate-Related Strain in Reactor-Pressure-Vessel Steels

    A. Coelho

    P08.OD.004

    A New Fundamental Parameters Approach

    L.A. Kommel

    P08.OD.005

    Structure and Mechanical Properties Ti-Al

    C.J. Cardin

    P08.OE.001

    Empty Orbital and Hydrogen Atom Location with XTALVIEW–Correlation with Density Functional Theory

    G. Ferraris

    P08.OE.002

    Modular Approach in Modelling the Crystal Structure of Some Minerals

    M. Catti

    P08.OF.001

    Lithium Location by Neutron Diffraction in NaSicon-type a – and a ¢ – LiZr2(PO4)3

    St. Adams

    P08.OF.002

    Modelling Conduction Pathways for Solid Electrolytes


    Adrian Lapthorn
    Last modified: Wed Jul 28 15:20:24 BST 1999