Direct dynamics study on the mechanism and the kinetics of the reaction of CH3NH2 with OH

International Journal of Quantum Chemistry

Volumn 109, Issue 7, 2009, Pages 1566-1575

  Tian, Wei ^a   Wang, Wenliang ^a   Zhang, Yue ^a   Wang, Weina ^a  

^a SHAANXI NORMAL UNIVERSITY   (China)

Author keywords

Direct dynamics; Mechanism; Methylamine; Rate constant; Transition state

Indexed keywords

AMINE GROUPS; BARRIER HEIGHTS; CANONICAL VARIATIONAL TRANSITION-STATE THEORIES; CCSD; DIRECT DYNAMICS; DOMINANT PRODUCT; EXPERIMENTAL VALUES; HYDROGEN ABSTRACTION; HYDROGEN ABSTRACTION REACTION; METHYLAMINE; NON-ARRHENIUS BEHAVIOR; OH RADICAL; REACTION ENTHALPIES; SMALL-CURVATURE TUNNELING; TEMPERATURE RANGE; THEORETICAL CALCULATIONS; THEORETICAL STUDY; TRANSITION STATE;

ABSTRACTING; AMINES; DYNAMICS; ELECTRONIC STATES; FREE RADICALS; HYDROGEN; REACTION KINETICS;

RATE CONSTANTS;

EID: 67649795084     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22000     Document Type: Article

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