Direct ab initio dynamics study on the reaction of CH3CHF 2 (HFC-152a) with the Cl atom

ChemPhysChem

Volumn 9, Issue 6, 2008, Pages 847-853

  Sun, Hao ^a   He, Hongqing ^b   Liu, Jingyao ^c   Li, Zesheng ^c   Pan, Xiumei ^a   Wang, Rongshun ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b Wuhan National Laboratory for Optoelectronics   (China)

^c JILIN UNIVERSITY   (China)

Author keywords

Ab initio calculations; Hydrofluorocarbons; Kinetics; Radical reactions; Reaction mechanisms

Indexed keywords

ABSTRACTING; CALCULATIONS; CHLORINE; ENZYME KINETICS; FLUOROCARBONS; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

AB INITIO CALCULATIONS; HYDROFLUOROCARBONS; HYDROGEN ABSTRACTION REACTION; RADICAL REACTIONS; REACTION MECHANISM; SMALL-CURVATURE TUNNELING; TRANSITION STATE THEORIES; WIDE TEMPERATURE RANGES;

RATE CONSTANTS;

EID: 42649093185     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200700590     Document Type: Article

References (43)