Mechanism of iron carbonyl-catalyzed hydrogenation of ethylene. 1. theoretical exploration of molecular pathways

Journal of Physical Chemistry A

Volumn 117, Issue 42, 2013, Pages 10912-10932

  Asatryan, Rubik ^a   Ruckenstein, Eli ^a  

^a State University of New York   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION REACTIONS; CALCULATIONS; CARBONYLATION; CATALYSIS; ETHANE; ETHYLENE; HYDRIDES; HYDROGENATION; ISOMERS; LIGANDS; PETROLEUM PROSPECTING; PHASE INTERFACES; PLANTS (BOTANY); POTENTIAL ENERGY; QUANTUM CHEMISTRY; REACTION INTERMEDIATES; REAGENTS;

CATALYTIC HYDROGENATION; DETAILED KINETIC MODELS; HYDROGENATION PATHWAY; INTER-SYSTEM CROSSINGS; MONOMOLECULAR PROCESS; MONOMOLECULAR REACTIONS; THERMOCHEMICAL PARAMETERS; TRIPLET ELECTRONIC STATE;

IRON COMPOUNDS;

EID: 84886613982     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp406878k     Document Type: Article

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