Computational study on decomposition kinetics of CH3CFClO radical

Journal of Chemical Sciences

Volumn 123, Issue 5, 2011, Pages 733-741

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

^a D D U GORAKHPUR UNIVERSITY   (India)

Author keywords

Canonical transition state theory; Decomposition of HCFC; HCFC 141b; PES

Indexed keywords

CALCULATIONS; COVALENT BONDS; POLYETHYLENES; POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM THEORY; RATE CONSTANTS;

AB INITIO QUANTUM MECHANICAL METHODS; CANONICAL TRANSITION STATE THEORIES; COMPUTATIONAL STUDIES; DECOMPOSITION KINETICS; DECOMPOSITION PATHWAY; FREQUENCY CALCULATIONS; HCFC-141B; INTRINSIC REACTION COORDINATE;

COMPUTATION THEORY;

EID: 80053913318     PISSN: 09743626     EISSN: 09737103     Source Type: Journal    
DOI: 10.1007/s12039-011-0117-0     Document Type: Article

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