Ab initio studies on the reactivity of the CF3OCH2O radical: Thermal decomposition vs. reaction with O2

Journal of Molecular Modeling

Volumn 16, Issue 9, 2010, Pages 1473-1480

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

^a D D U GORAKHPUR UNIVERSITY   (India)

Author keywords

Canonical transition state theory; Decomposition of HFE; HFE 143a; PES

Indexed keywords

ETHER; HYDROFLUOROETHER; OXYGEN; RADICAL; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CANONICAL TRANSITION STATE THEORY; CHEMICAL BOND; DENSITY FUNCTIONAL THEORY; DRUG DECOMPOSITION; MATHEMATICAL ANALYSIS; PRIORITY JOURNAL;

ETHERS; FREE RADICALS; HYDROCARBONS, FLUORINATED; KINETICS; MODELS, CHEMICAL; OXYGEN; TEMPERATURE; VIBRATION;

EID: 77955322229     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0665-0     Document Type: Article

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