First principle kinetic studies of zeolite-catalyzed methylation reactions

Methylations of ethene, propene, and butene by methanol over the acidic microporous H-ZSM-5 catalyst are studied by means of state of the art computational techniques, to derive Arrhenius plots and rate constants from first principles that can directly be compared with the experimental data. For the...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 133; no. 4; p. 888
Main Authors:	Van Speybroeck, Veronique, Van der Mynsbrugge, Jeroen, Vandichel, Matthias, Hemelsoet, Karen, Lesthaeghe, David, Ghysels, An, Marin, Guy B, Waroquier, Michel
Format:	Journal Article
Language:	English
Published:	United States 02.02.2011
ISSN:	1520-5126, 1520-5126
Online Access:	Get more information
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