Conference Agenda

Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).

Please note that all times are shown in the time zone of the conference. The current conference time is: 1st Nov 2024, 12:50:24am CET

 
 
Session Overview
Session
Poster - 07 Powder: Powder diffraction - general, structure refinement
Time:
Sunday, 15/Aug/2021:
5:10pm - 6:10pm


 


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Presentations
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 applications
Posters 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

External Resource:
Video Link


ID: 1518 / Poster - 07 Powder: 3
Methods and instruments
Poster
MS: Ab initio powder structure analysis for polymorphism and phase transformation studies with pharmaceutical applications
Keywords: 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

External Resource:
Video Link


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 crystallography
Posters 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

External Resource:
Video Link


ID: 800 / Poster - 07 Powder: 5
Materials and minerals
Oral/poster
MS: Texture, strain and structure in metals and ceramics
Posters 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

External Resource:
Video Link


 
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