Hirshfeld-I charges: from molecules to solids: implementation, pitfalls and applications

D.E.P. Vanpoucke, S. Cottenier, T. Verstraelen, V. Van Speybroeck, S. Van Damme, P. Bultinck, I. Van Driessche

ISBN/ISSN:

Poster

Conference / event / venue

Quantum Chemistry in Belgium

Namur, Belgium

Thursday, 23 January, 2014