First principle chemical kinetics in zeolites: the methanol-to-olefin process as a case study

To optimally design next generation catalysts a thorough understanding of the chemical phenomena at the molecular scale is a prerequisite. Apart from qualitative knowledge on the reaction mechanism, it is also essential to be able to predict accurate rate constants. Molecular modeling has become a u...

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Bibliographic Details

Published in:	Chemical Society reviews Vol. 43; no. 21; p. 7326
Main Authors:	Van Speybroeck, Veronique, De Wispelaere, Kristof, Van der Mynsbrugge, Jeroen, Vandichel, Matthias, Hemelsoet, Karen, Waroquier, Michel
Format:	Journal Article
Language:	English
Published:	England 07.11.2014
ISSN:	1460-4744, 1460-4744
Online Access:	Get more information
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