ID: 1934
/ Poster - 07 Powder: 1
Poster session abstracts
Poster
Poster session abstracts
Radomír Kužel
ID: 1354
/ Poster - 07 Powder: 2
Chemical crystallography, crystal structures
Poster
MS: Ab initio powder structure analysis for polymorphism and phase transformation studies with pharmaceutical applicationsPosters only: Chemical crystallography, crystal structures (if it does not fit to any specific topics)Keywords: Powder diffraction; Direct-space methods; ssNMR; ab-initio; structure solution
Use of intermolecular distances from ssNMR in crystal structure determination from powder diffraction data
Jan Rohlíček1, Libor Kobera2, Michal Hušák3, Jiří Brus2
1Institute of Physics of the Czech Academy of Sciences, Na Slovance 2, Prague 8, 182 21, Czech Republic; 2Institute of Macromolecular Chemistry, Czech Academy of Sciences, Heyrovsky Square 2, Prague, 16206, Czech Republic; 3Department of Solid State Chemistry, University of Chemical Technology Prague, Prague 6, 166 28, Czech Republic
ID: 1518
/ Poster - 07 Powder: 3
Methods and instruments
Poster
MS: Ab initio powder structure analysis for polymorphism and phase transformation studies with pharmaceutical applicationsKeywords: Crystal structure prediction; Powder X-ray crystal structure analysis; Polymorphism
Structure determination of soft crystal polymorphs by using prediction technique with powder X-ray diffraction data
Shigeaki Obata1, Hitoshi Goto1,2
1CONFLEX Corporation, Tokyo, Japan; 2Information and Media Center, Toyohashi University of Technology, Toyohashi, Japan
ID: 600
/ Poster - 07 Powder: 4
Theory, computation, modelling, data, standards
Poster
MS: Advanced methods for analysis of XAFS and crystallographic data, Handling of big data in crystallography, Data-driven discovery in crystallographyPosters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics), General (if it does not fit to any specific topics nor areas)Keywords: XRPD, Automation, PLSR, t-SNE, Cluster Analysis
Easy Automation & More Accurate Analysis with HighScore(Plus) V4.
Thomas Degen, Egbert Bron, Mustapha Sadki
Malvern Panalytical B.V., Almelo, Netherlands, The
ID: 800
/ Poster - 07 Powder: 5
Materials and minerals
Oral/poster
MS: Texture, strain and structure in metals and ceramicsPosters only: Materials and minerals (if it does not fit to any specific topics)Keywords: solid_solutions, pigments, ceramics, Co3P2O8, Mg3P2O8
Structural characterization of MgxCo3-xP2O8 solid solutions
María Angeles Tena2, Rafael Mendoza1, Camino Trobajo1, José R. García1, Santiago Garcia-Granda1
1University of Oviedo, Oviedo, Spain; 2Jaume I University, Castellon, Spain
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