Computational study on the thermal decomposition and isomerization of the CH 3OCF 2O • radical

Canadian Journal of Chemistry

Volumn 90, Issue 4, 2012, Pages 403-409

  Singh, Hari Ji ^a   Mishra, Bhupesh Kumar ^a   Rao, Pradeep Kumar ^a  

^a D D U GORAKHPUR UNIVERSITY   (India)

Author keywords

Canonical transition state theory; Decomposition of HFE; HFE 152a; Potential energy surface

Indexed keywords

BARRIER HEIGHTS; BASIS SETS; BOND SCISSIONS; COMPUTATIONAL STUDIES; DECOMPOSITION PATHWAY; DFT-B3LYP; HFE-152A; SINGLE-POINT ENERGY; THERMAL RATE CONSTANT; TRANSITION STATE; TRANSITION STATE THEORIES;

INTERNET PROTOCOLS; PHOTOOXIDATION; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; RATE CONSTANTS;

ISOMERS;

EID: 84861394806     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v2012-005     Document Type: Article

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