Using density functional theory for estimating force field parameters

L. Vanduyfhuys, T. Verstraelen, M. Vandichel, M. Waroquier, V. Van Speybroeck

P36

Poster

Conference / event / venue

DFTM2012

Ghent University, Het Pand, Ghent, Belgium

Sunday, 1 April, 2012 to Friday, 6 April, 2012