Ab Initio and DFT investigation of the structures and properties of chloromethyl and chlorofluoromethyl peroxyl radicals

International Journal of Quantum Chemistry

Volumn 102, Issue 2, 2005, Pages 178-188

  El Taher, S ^a,b  

^a CAIRO UNIVERSITY   (Egypt)

^b IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY   (Saudi Arabia)

Author keywords

Ab initio; Bond dissociation energy (BDE); DFT; Electron affinity; Peroxyl radicals

Indexed keywords

ATMOSPHERIC CHEMISTRY; CHEMICAL BONDS; DISSOCIATION; METHANE; OXIDATION; REACTION KINETICS;

AB INITIO; BOND DISSOCIATION ENERGY (BDE); DENSITY FUNCTIONAL THEORY (DFT); ELECTRON AFFINITY; PEROXYL RADICALS;

ORGANIC COMPOUNDS;

EID: 15944365196     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20363     Document Type: Article

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