Efficient calculation of QM/MM frequencies with the Mobile Block Hessian

A. Ghysels, H. Lee Woodcock III, Y. Shao, B.R. Brooks, D. Van Neck, V. Van Speybroeck, M. Waroquier

Poster

Conference / event / venue

Gordon Research Conference - Computational Chemistry

Les Diablerets, Switzerland

Sunday, 29 August, 2010 to Friday, 3 September, 2010