On February 2, 2016 at 10:00 UTC Samara Center for Theoretical Materials Science conducted the webinar “Specific bonding in molecular crystals: analysis and classification with topological methods”.
The webinar participants reviewed the methods of geometrical and topological analysis of specific (hydrogen, halogen) bonding in molecular crystals with a special attention to the approaches implemented in ToposPro.
Some crucial tasks of the analysis including detection of specific bonds, determination of local coordination of the molecules, simplification of the molecular structure, and classification of specific-bonded motifs were discussed. The methods of molecular architecture analysis such as supramolecular ensembles or synthons were demonstrated.
Tutor: Prof. V.A.Blatov
Language of the webinar will be English.