K. De Wispelaere

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
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Conference / event / venue 

18th International Zeolite Conference (IZC18)
Rio de Janeiro, Brazil
Sunday, 19 June, 2016 to Friday, 24 June, 2016

Ab initio molecular dynamics study on the role of water in the side-chain mechanism during methanol conversion in H-SAPO-34

S. Bailleul, K. De Wispelaere, V. Van Speybroeck
ISBN/ISSN:
Talk

Conference / event / venue 

XVIIth Netherlands' Catalysis and Chemistry Conference (NCCC XVII)
Noordwijkerhout, The Netherlands
Monday, 7 March, 2016 to Wednesday, 9 March, 2016

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