Reaction dynamics of zeolite-catalyzed alkene methylation by methanol

Journal of Physical Chemistry C

Volumn 118, Issue 37, 2014, Pages 21409-21419

  Gomes, Joseph ^a   Head Gordon, Martin ^a   Bell, Alexis T ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; ALKYLATION; CATALYSIS; ETHYLENE; HYDROCARBONS; METHANOL; METHYLATION; MOLECULAR MODELING; POTENTIAL ENERGY; PROTONATION; QUANTUM CHEMISTRY; QUANTUM THEORY; REACTION KINETICS;

APPARENT ACTIVATION ENERGY; INTRINSIC REACTION COORDINATE; METHYLATION REACTION; PRODUCT DISTRIBUTIONS; QUALITATIVE DIFFERENCES; QUANTUM MECHANICS/MOLECULAR MECHANICS; QUASICLASSICAL TRAJECTORIES; THERMAL EQUILIBRIUMS;

REACTION INTERMEDIATES;

EID: 84949115630     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp502804q     Document Type: Article

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