XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
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, 01:33:39am CET
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Session Overview |
| Session | ||
MS-88: Quantum crystallography research
Invited: Sophie E. Canton (Hungary), Simon Grabowsky (Switzerland)
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| Session Abstract | ||
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Large scale facilities including free electron lasers open new opportunities for advances in Quantum Crystallography Research. This is because of a very intense (brilliance) and focused beam and with a time structure that allows the measurement of very small or ultra-dilute samples at different time scales. It is possible to study transient species and fast chemical reactions as well as to perform also biological and geological studies. Additionally, neutron diffraction (spallation sources and reactors) plays a key role in quantum crystallographic research as the nature of neutron beams allow for interactions with the nuclei and the magnetic moment of unpaired electrons in the sample. Neutrons are scattered by all elements along with a deep penetration of the materials. Routinely, synchrotron and neutron facilities are complementary techniques which allow to analysis of the structural details of materials at the atomic scale. Contributions to this MS should go beyond the structural level and cover all quantum crystallography investigations resulting from experiments performed at large scale facilities including free electron lasers. | ||
| Introduction | ||
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2:45pm - 2:50pm
Introduction to session 2:50pm - 3:20pm
Synchrotron experiments revealing the similarities and differences between crystal and enzyme environmental effects on the electron densities of protease inhibitors and ibuprofen derivatives University of Bern, Bern, Switzerland External Resource:
 3:20pm - 3:50pm
Visualizing the multiscale structural dynamics of photoexcited molecular complexes with ultrafast hard X-rays European XFEL, Schenefeld, Germany External Resource:
3:50pm - 4:10pm
Ultrafast photocrystallographic and spectroscopic studies of selected coinage-metal coordination compounds 1University of Warsaw, Warsaw, Poland; 2Warsaw Institute of Technology, Poland External Resource:
4:10pm - 4:30pm
Electronic structure of (MePh3P)2[NiII(bdtCl2)2] . (CH3)2SO and (MePh3P)[NiIII(bdtCl2)2], (bdtCl2 - 3,6-dichlorobenzene-1,2-dithiolate) STU Bratislava, Bratislava, Slovak Republic External Resource:
4:30pm - 4:50pm
Unusual carbonyl interactions in co-crystals of urea and dicarboxylic acids 1University of Göttingen, Göttingen, Germany; 2Jagiellonian University in Krakow, Krakow, Poland External Resource:
4:50pm - 5:10pm
Testing various variants of Hirshfeld atom like refinement. University of Warsaw, Warszawa, Poland External Resource:
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