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ChemPhysChem

Volumn 7, Issue 8, 2006, Pages 1741-1749

Theoretical dynamic studies on the reaction of CH3C(O)CH 3-nFn with the hydroxyl radical and the chlorine atom

(5) Ji, Yue Meng a Wang, Li a Li, Ze Sheng a Liu, Jing Yao a Sun, Chia Chung a

a JILIN UNIVERSITY (China)

Author keywords

Ab initio calculations; Computer chemistry; Density functional calculations; Gas phase reactions; Kinetics

Indexed keywords

CALCULATIONS; CHLORINE; DENSITY FUNCTIONAL THEORY; DENSITY OF GASES; ELECTRONIC STATES; ENZYME KINETICS; GROUP THEORY; PHASE INTERFACES; RATE CONSTANTS;

AB INITIO CALCULATIONS; CANONICAL VARIATIONAL TRANSITION-STATE THEORIES; COMPUTER CHEMISTRY; GAS-PHASE REACTIONS; HYDROGEN ABSTRACTION; SMALL-CURVATURE TUNNELING; STANDARD ENTHALPIES OF FORMATION; WIDE TEMPERATURE RANGES;

CHLORINE COMPOUNDS;

EID: 33748209537 PISSN: 14394235 EISSN: 14397641 Source Type: Journal
DOI: 10.1002/cphc.200600143 Document Type: Article

Times cited : (6)

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