Session Overview |
Session | |
Poster - 32 Theory: Theoretical crystallography
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Presentations | |
ID: 1959
/ Poster - 32 Theory: 1
Poster session abstracts Poster Poster session abstracts ID: 1072
/ Poster - 32 Theory: 2
Theory, computation, modelling, data, standards Poster MS: Generalizations of crystallographic groups and their applications Keywords: domain-interface, topological defect, coset graph, group theory Algebraic analysis of topological domain-interface defects in crystals Brigham Young University, Provo, United States of America External Resource: https://www.xray.cz/iucrp/P_437
ID: 1539
/ Poster - 32 Theory: 3
Theory, computation, modelling, data, standards Poster Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics) Keywords: Pair distrubution function, perovskites, modelling, Glazer tilt Local structure representation beyond symmetry constraints: Glazer tilts in perovskites Columbia University, New York External Resource: https://www.xray.cz/iucrp/P_441
ID: 1493
/ Poster - 32 Theory: 4
Poster sessions Poster Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics) Keywords: cocrystal, machine-learning, molecular informatics A comparative research between atomic-based and chemical calculation-based descriptor for cocrystal screening machine learning model Tokyo Institute of Technology, Tokyo, Japan External Resource: https://www.xray.cz/iucrp/P_443
ID: 786
/ Poster - 32 Theory: 5
All topics Oral/poster MS: Combining X-ray diffraction and spectroscopy to characterise materials Keywords: structure, dynamics, DFT, nanoconfinement SPECIFIC WATER STRUCTURE IN A GEO-INSPIRED NANOTUBE AND INTERRELATED DYNAMICS 1Laboratoire de Physique des Solides, CNRS, université Paris-Saclay, Orsay, France; 2Institut Laue-Langevin, Grenoble, France; 3STFC, Daresbury laboratory, UK External Resource: https://www.xray.cz/iucrp/P_438
ID: 1346
/ Poster - 32 Theory: 6
Theory, computation, modelling, data, standards Poster MS: Beyond pure point diffraction: Theory and application of diffuse scattering, Crystal structure prediction Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics) Keywords: dynamical theory of X-ray diffraction, diffuse scattering, microdefects, primary extinction, Bragg diffraction geometry Dynamical effects in the integrated X-ray scattering intensity from single crystals with microdefects in Bragg diffraction geometry 1G.V. Kurdyumov Institute for Metal Physics, N.A.S. of Ukraine, Kyiv, Ukraine External Resource: https://www.xray.cz/iucrp/P_435
ID: 1670
/ Poster - 32 Theory: 7
Physics and fundamental crystallography Poster Posters only: Physical and fundamental crystallography (if it does not fit to any specific topics) Keywords: general position, equal phases, approximate structure Result of using atoms and centrosymmetric cubic space groups Nil, HONG KONG, Hong Kong S.A.R. (China) External Resource: https://www.xray.cz/iucrp/P_439
ID: 1855
/ Poster - 32 Theory: 8
Theory, computation, modelling, data, standards Poster Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics) Keywords: approximate structure; constraints; combinations; Determination of structure of CoS2 by the means of a simple new method; a solution to the phase problem for centrosymmetric cubic crystals Nil, HONG KONG, Hong Kong S.A.R. (China) External Resource: https://www.xray.cz/iucrp/P_440
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