MS details

The schedule is available at https://www.conftool.com/iucr2020/

Quantum crystallographic studies on intra/inter-molecular interactions

Comments

Characterization of both intra- and intermolecular interactions has been a major motivation for the development of quantum crystallography methods and remains its most common application. This aspect of quantum crystallography comprises ways to classify a wide range of interactions encountered in crystals but also discovery of interactions which elude existing definitions. Estimating interaction energies based on quantum crystallography tools also falls within this category. We invite contributions concerning classification of intra- and intermolecular interactions in crystals, elucidation of interaction energies, and also case studies where the intra- and intermolecular interactions could be related to the macroscopic (mechanical, luminescent a.s.o.) properties of investigated crystals.

Chair persons

Name	Family	Institution	City	Country	Region
Chérif F.	Matta	Mount Saint Vincent University	Halifax	Canada	ACA
Anna	Makal	Warsaw University	Warszawa	Poland	ECA

Invited speakers

Name	Family	Institution	City	Country	Title
Jacob	Overgaard	Department of Chemistry, Aarhus University	Aarhus	Denmark	Using advanced X-ray and neutron diffraction techniques in single molecule magnets research
Benoit	Guillot	University of Lorraine	Nancy	France	Beyond multipolar pseudoatom transferability: accounting for intermolecular polarization effects in protein-ligand complexes