Hydrogen-atom abstraction reaction of CF3CH2OCF 3 by hydroxyl radical

Bulletin of the Korean Chemical Society

Volumn 31, Issue 12, 2010, Pages 3718-3722

  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; Hydrofluoroethers; Potential energy surface; Theoretical chemistry

Indexed keywords

AB INITIO; ATOM ABSTRACTION; DFT METHOD; GAUSSIANS; HYDROFLUOROETHERS; HYDROXYL RADICALS; MINIMUM ENERGY PATHS; OPTIMIZED GEOMETRIES; SINGLE-POINT ENERGY; THEORETICAL CHEMISTRY; THEORETICAL INVESTIGATIONS; TRANSITION STATE THEORIES;

POTENTIAL ENERGY; QUANTUM CHEMISTRY; RATE CONSTANTS;

POTENTIAL ENERGY SURFACES;

EID: 78650313796     PISSN: 02532964     EISSN: 12295949     Source Type: Journal    
DOI: 10.5012/bkcs.2010.31.12.3718     Document Type: Article

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