An ab initio study of the three-channel reaction between methanol and hydrogen atoms: BAC-MP4 and Gaussian-2 calculations

Journal of Physical Chemistry A

Volumn 101, Issue 8, 1997, Pages 1588-1594

  Lendvay, G ^a   Berces T ^a   Marta F ^a  

^a CTRL RES INSTITUTE FOR CHEMISTRY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPOSITION EFFECTS; ELECTRON TRANSITIONS; HYDROGEN; ISOTOPES; METHANOL; MOLECULAR STRUCTURE; RANDOM PROCESSES; TEMPERATURE;

AB INITIO SADDLE POINT PROPERTIES; CONVENTIONAL TRANSITION STATE THEORY; EXOTHERMIC CHANNEL; ISOTOPE EFFECTS; TEMPERATURE DEPENDENCE; THREE CHANNEL REACTION;

CHEMICAL REACTIONS;

EID: 0031075381     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp963188a     Document Type: Article

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