Theoretical studies on the reactions CH3SCH3 with OH, CF3, and CH3 radicals

Journal of Computational Chemistry

Volumn 31, Issue 15, 2010, Pages 2794-2803

  Zhang, Hui ^a   Zhang, Gui Ling ^a   Liu, Jing Yao ^b   Sun, Miao ^a   Liu, Bo ^a   Li, Ze Sheng ^c  

^a HARBIN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b JILIN UNIVERSITY   (China)

^c HARBIN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

gas phase reaction; rate constants; transition state

Indexed keywords

CANONICAL VARIATIONAL TRANSITION-STATE THEORIES; DIRECT DYNAMICS; EXPERIMENTAL DATA; GAS-PHASE REACTIONS; HYDROGEN ABSTRACTION; MINIMUM ENERGY PATHS; MULTIPLE-CHANNEL; OPTIMIZED GEOMETRIES; REACTION CHANNELS; SMALL-CURVATURE TUNNELING; TEMPERATURE RANGE; THEORETICAL STUDY; TRANSITION STATE;

ELECTRONIC STATES; PETROLEUM REFINING; PHASE INTERFACES; PHASE TRANSITIONS; REACTION KINETICS;

RATE CONSTANTS;

DIMETHYL SULFATE; DRUG DERIVATIVE; FLUOROCARBON; HYDROGEN; HYDROXYL RADICAL; METHANE; METHYL RADICAL; SULFATE;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; GAS; HYDROGEN BOND; KINETICS; THERMODYNAMICS;

ALGORITHMS; FLUOROCARBONS; GASES; HYDROGEN; HYDROGEN BONDING; HYDROXYL RADICAL; KINETICS; METHANE; MODELS, CHEMICAL; SULFURIC ACID ESTERS; THERMODYNAMICS;

EID: 78149462022     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21572     Document Type: Article

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