New methods in force-field development T. Verstraelen, D. Van Neck, P.W. Ayers, V. Van Speybroeck, M. Waroquier TalkConference / event / venue VIIth Netherlands' Catalysis and Chemistry Conference (NCCC VII)Noordwijkerhout, The Netherlandsmaandag, 5 maart, 2007 t/m woensdag, 7 maart, 2007 Lees verder over New methods in force-field development
New force-field models for biporous zeolites with guest molecules T. Verstraelen, P.W. Ayers, D. Van Neck, V. Van Speybroeck, M. Waroquier TalkConference / event / venue Advanced micro- and mesoporous materialsVarna, Bulgariadonderdag, 6 september, 2007 t/m zondag, 9 september, 2007 Lees verder over New force-field models for biporous zeolites with guest molecules
Dissociation curves from variational second order density matrices: an Atoms in Molecules perspective P. Bultinck, H. van Aggelen, B. Verstichel, D. Van Neck, P.W. Ayers TalkConference / event / venue 92nd Canadian Chemistry ConferenceHamilton, Canadazaterdag, 30 mei, 2009 t/m vrijdag, 5 juni, 2009 Lees verder over Dissociation curves from variational second order density matrices: an Atoms in Molecules perspective
Variational Reduced Density Matrix Theory: Successes and Failures P.W. Ayers, D. Van Neck, P. Bultinck, H. van Aggelen, B. Verstichel TalkConference / event / venue Seventh Canadian Computational Chemistry Conference (CCCC7)Dalhousie, Canadamaandag, 20 juli, 2009 t/m vrijdag, 24 juli, 2009 Lees verder over Variational Reduced Density Matrix Theory: Successes and Failures