Molecular dynamics study of diffusion in 8-ring zeolites S.L. Moors, A. Ghysels, K. De Wispelaere, K. Hemelsoet, V. Van Speybroeck, M. Waroquier 1ISBN/ISSN:TalkConference / event / venue NCCC XVNoordwijkerhoutMonday, 10 March, 2014 to Wednesday, 12 March, 2014 Read more about Molecular dynamics study of diffusion in 8-ring zeolites
Thermodynamic modeling of reactive and associating molecular systems Read more about Thermodynamic modeling of reactive and associating molecular systems
Invloed van flexibiliteit op de adsorptie-isothermen van methanol en methanol-water mengels in nanoporeuze materialen Read more about Invloed van flexibiliteit op de adsorptie-isothermen van methanol en methanol-water mengels in nanoporeuze materialen
Molecular dynamics kinetic study on the zeolite-catalyzed methanol conversion process K. De Wispelaere, S.L. Moors, B. Ensing, K. Hemelsoet, E.J. Meijer, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue 15th Int. Conference of Theoretical Aspects of Catalysis (ICTAC-15)London, United KingdomMonday, 30 June, 2014 to Friday, 4 July, 2014 Read more about Molecular dynamics kinetic study on the zeolite-catalyzed methanol conversion process
Modelering van diffusie in een nanoporeuze katalysator Read more about Modelering van diffusie in een nanoporeuze katalysator
Modeling of multi-functionalized, sequence-controlled polymers Read more about Modeling of multi-functionalized, sequence-controlled polymers
Dynamic ab initio study towards new hydrocarbon pool cycles for the MTO-conversion in H-SAPO-5 T. Deconinck, K. De Wispelaere, J. Van der Mynsbrugge, S.L. Moors, M. Westgård Erichsen, S. Svelle, U. Olsbye, K. Hemelsoet, V. Van Speybroeck ISBN/ISSN:PosterConference / event / venue XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV)Noordwijkerhout, The NetherlandsMonday, 10 March, 2014 to Wednesday, 12 March, 2014 Read more about Dynamic ab initio study towards new hydrocarbon pool cycles for the MTO-conversion in H-SAPO-5
Unraveling the reaction mechanism of methanol conversion: insights from molecular dynamics simulations K. De Wispelaere, B. Ensing, S.L. Moors, K. Hemelsoet, V. Van Speybroeck, E.J. Meijer ISBN/ISSN:PosterConference / event / venue Study Group Meeting: Chemistry in Relation to Physics and Materials SciencesVeldhoven, The NetherlandsMonday, 10 February, 2014 to Tuesday, 11 February, 2014 Read more about Unraveling the reaction mechanism of methanol conversion: insights from molecular dynamics simulations
Molecular dynamics kinetic study on zeolite-catalyzed reactions K. De Wispelaere, S.L. Moors, J. Van der Mynsbrugge, M. Waroquier, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue XVth Netherlands' Catalysis and Chemistry Conference (NCCC XV)Noordwijkerhout, The NetherlandsMonday, 10 March, 2014 to Wednesday, 12 March, 2014 Read more about Molecular dynamics kinetic study on zeolite-catalyzed reactions
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: -PosterConference / event / venue Annual IAP MeetingGhent, BelgiumWednesday, 18 September, 2013 Read more about Ab initio metadynamics study on the zeolite-catalyzed benzene methylation in ZSM-5