M. Sabbe, A.G. Vandeputte, M-F. Reyniers, G.B. Marin, V. Van Speybroeck, M. Waroquier PosterConference / event / venue FOMMS (Foundations of Molecular Modeling and Simulation)Semiahmoo Resort, USSunday, 9 July, 2006 to Friday, 14 July, 2006