K. De Wispelaere, K. Hemelsoet, S.L. Moors, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck p. 191ISBN/ISSN:Invited talkConference / event / venue 4th Annual Global Congress of Catalysis (GCC-2013)Dalian, ChinaSaturday, 29 June, 2013 to Monday, 1 July, 2013