Ab initio molecular dynamics study on the influence of water on methanol conversion in H-SAPO-34 S. Bailleul, K. De Wispelaere, J. Van der Mynsbrugge, K. Hemelsoet, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue IAP Annual MeetingHasselt, BelgiumFriday, 11 September, 2015 Read more about Ab initio molecular dynamics study on the influence of water on methanol conversion in H-SAPO-34
Exploring the nature and reactivity of alkene cracking intermediates in H-ZSM-5 with molecular simulations P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue XVIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XVIII)Noordwijkerhout, The NetherlandsMonday, 6 March, 2017 to Wednesday, 8 March, 2017 Read more about Exploring the nature and reactivity of alkene cracking intermediates in H-ZSM-5 with molecular simulations
On the nature and stability of butene cracking intermediates in H-ZSM-5 P. Cnudde, K. De Wispelaere, M. Waroquier, J. Van der Mynsbrugge, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue FEARS2017Ghent, BelgiumWednesday, 15 February, 2017 Read more about On the nature and stability of butene cracking intermediates in H-ZSM-5
Molecular simulations elucidate the nature and stability of alkene cracking intermediates on H-ZSM-5 P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue IAP Annual MeetingLuik, BelgiumMonday, 12 September, 2016 Read more about Molecular simulations elucidate the nature and stability of alkene cracking intermediates on H-ZSM-5
A theoretical study of reactive intermediates in H-ZSM-5 catalyzed alkene cracking P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, J. Hajek, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue Chemical Research in Flanders (CRF-1)Blankenberge, BelgiumMonday, 24 October, 2016 to Wednesday, 26 October, 2016 Read more about A theoretical study of reactive intermediates in H-ZSM-5 catalyzed alkene cracking
On the stability and nature of adsorbed pentene in Brønsted acid zeolite H-ZSM-5 J. Hajek, J. Van der Mynsbrugge, K. De Wispelaere, P. Cnudde, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue 252nd American Chemical Society (ACS) National MeetingPhiladelphia, PA, USASunday, 21 August, 2016 to Thursday, 25 August, 2016 Read more about On the stability and nature of adsorbed pentene in Brønsted acid zeolite H-ZSM-5
Unraveling the nature of reactive intermediates in H-MFI catalyzed pentene cracking using molecular dynamics simulations P. Cnudde, K. De Wispelaere, J. Hajek, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue 18th International Zeolite Conference (IZC18)Rio de Janeiro, BrazilSunday, 19 June, 2016 to Friday, 24 June, 2016 Read more about Unraveling the nature of reactive intermediates in H-MFI catalyzed pentene cracking using molecular dynamics simulations
A Theoretical Toolbox for a Better Catalytic Understanding Read more about A Theoretical Toolbox for a Better Catalytic Understanding
Ab initio study on the nature of intermediates in zeolite catalyzed butene cracking P. Cnudde, K. De Wispelaere, J. Van der Mynsbrugge, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue IAP Annual MeetingHasselt, BelgiumFriday, 11 September, 2015 Read more about Ab initio study on the nature of intermediates in zeolite catalyzed butene cracking
Toward a more accurate computational description of adsorption in Brønsted acid zeolites J. Van der Mynsbrugge, K. De Wispelaere, P. Cnudde, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue Gordon Research Conference Nanoporous Materials & Their ApplicationsHolderness, NH, USASunday, 9 August, 2015 to Friday, 14 August, 2015 Read more about Toward a more accurate computational description of adsorption in Brønsted acid zeolites