K. De Wispelaere
Dynamic ab initio study towards new hydrocarbon pool cycles for the MTO-conversion in H-SAPO-5
ISBN/ISSN:
Poster
Conference / event / venue
XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV)
Noordwijkerhout, The Netherlands
Monday, 10 March, 2014 to Wednesday, 12 March, 2014
A theoretical assignment scale of aromatic and aliphatic MTO intermediates
ISBN/ISSN:
Talk
Conference / event / venue
XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV)
Noordwijkerhout, The Netherlands
Monday, 10 March, 2014 to Wednesday, 12 March, 2014
First-principle kinetic study of butene cracking on H-ZSM-5
ISBN/ISSN:
Poster
Conference / event / venue
XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV)
Noordwijkerhout, The Netherlands
Monday, 10 March, 2014 to Wednesday, 12 March, 2014
Application of molecular simulations to study zeolite-catalyzed reactions
ISBN/ISSN:
Talk
Conference / event / venue
Computational Chemistry group meeting, HIMS, UvA
Amsterdam, The Netherlands
Friday, 21 February, 2014
Unraveling the reaction mechanism of methanol conversion: insights from static models and molecular dynamics simulations
ISBN/ISSN:
Invited talk
Conference / event / venue
ACMM Winter Symposium
Amsterdam, The Netherlands
Friday, 7 February, 2014
Unraveling the reaction mechanism of methanol conversion: insights from molecular dynamics simulations
ISBN/ISSN:
Poster
Conference / event / venue
Study Group Meeting: Chemistry in Relation to Physics and Materials Sciences
Veldhoven, The Netherlands
Monday, 10 February, 2014 to Tuesday, 11 February, 2014
Molecular dynamics kinetic study on zeolite-catalyzed reactions
ISBN/ISSN:
Talk
Conference / event / venue
XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV)
Noordwijkerhout, The Netherlands
Monday, 10 March, 2014 to Wednesday, 12 March, 2014
Unraveling the methanol conversion process: insights from extended cluster models and molecular dynamics
ISBN/ISSN:
Talk
Conference / event / venue
Computational Chemistry group meeting, HIMS, UvA
Amsterdam, The Netherlands
Friday, 11 October, 2013
Ab initio metadynamics study on the zeolite-catalyzed benzene methylation in ZSM-5
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ISBN/ISSN: -
Poster
Conference / event / venue
Annual IAP Meeting
Ghent, Belgium
Wednesday, 18 September, 2013
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