Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5

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Title
Effect of temperature and branching on the nature and stability of alkene cracking intermediates in H-ZSM-5
Authors
Keywords
Metadynamics, Molecular dynamics, Density functional theory, Zeolite ZSM-5, Catalysis, Alkene adsorption
Journal
JOURNAL OF CATALYSIS
Volume 345, Issue -, Pages 53-69
Publisher
Elsevier BV
Online
2016-12-18
DOI
10.1016/j.jcat.2016.11.010

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