MS29: Accurate Treatment of Hydrogen Atoms

Chairs
  • Horst Puschmann (OlexSys, United Kingdom)
  • Matteo Lusi (University of Limerick, Ireland)
Details
  • Date:     Thursday, 22. August 2019
  • Time:    10:00 - 12:00
  • Venue:  tba

There has recently been much improvement in the description of hydrogen atoms from X-ray data through new refinement techniques (such as Hirshfeld Atom Refinement) or new techniques such as dynamic quantum crystallography. Accurate determination of hydrogen atom parameters is of utmost importance for properties of intermolecular interactions such as interaction energies, which reflects on materials properties.


10:00 MS29-01 Modelling of Hydrogen Atoms in Crystallography – An Overview
Anders Østergaard Madsen (University of Copenhagen, Denmark) | Abstract preview
10:30 MS29-02 Influence of a Hydrogen Bond on Optical Properties of Materials
Anna Krawczuk (Jagiellonian University, Poland) | Abstract preview
11:00 MS29-03 Title to be announced
Author to be announced | Abstract preview
11:20 MS29-04 Title to be announced
Author to be announced | Abstract preview
11:40 MS29-05 Title to be announced
Author to be announced | Abstract preview