B3LYP and CCSD(T) studies of the mechanisms of unimolecular reactions of HXCS (X = H and F)

Journal of Physical Chemistry A

Volumn 105, Issue 28, 2001, Pages 6932-6937

  Lai, Chin Hung ^a   Su, Ming Der ^b   Chu, San Yan ^a  

^a NATIONAL TSING HUA UNIVERSITY   (Taiwan)

^b KAOHSIUNG MEDICAL UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; DECOMPOSITION; FREE RADICALS; ISOMERS; POTENTIAL ENERGY; SUBSTITUTION REACTIONS; THERMODYNAMIC PROPERTIES;

UNIMOLECULAR REACTIONS;

HYDROCARBONS;

EID: 0035913558     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp010648d     Document Type: Article

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