K. De Wispelaere, K. Hemelsoet, M. Waroquier, V. Van Speybroeck http://www.tacc2012.org/poster/De_Wispeleare.pdfPosterConference / event / venue Theory and Applications of Computational Chemistry (TACC-2012)Pavia, ItalySunday, 2 September, 2012 to Friday, 7 September, 2012