Extended Hirshfeld: Atomic charges that combine accurate electrostatics with transferability

T. Verstraelen, P.W. Ayers, V. Van Speybroeck, M. Waroquier

COMP 294

ISBN/ISSN:

Poster

Conference / event / venue

247th ACS National Meeting & Exposition

Dallas, USA

Sunday, 16 March, 2014 to Thursday, 20 March, 2014