S.M.J. Rogge, J. Wieme, L. Vanduyfhuys, A. Ghysels, M. Waroquier, T. Verstraelen, G. Maurin, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue Theory and Applications of Computational Chemistry 2016Seattle, WA, USAWednesday, 31 August, 2016