Ab initio metadynamics study on the zeolite-catalyzed benzene methylation in ZSM-5

S.L. Moors, K. De Wispelaere, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck

ISBN/ISSN:

Poster

Conference / event / venue

Molecular Kinetics 2013

Berlin, Germany

Monday, 2 September, 2013 to Thursday, 5 September, 2013