Direct ab initio dynamics study of radical C4H (X̃2σ+) + CH4 reaction

Journal of Physical Chemistry A

Volumn 115, Issue 15, 2011, Pages 3576-3582

  Huo, Rui Ping ^a   Zhang, Xiang ^b   Huang, Xu Ri ^a   Li, Ji Lai ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

^b SHANXI NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO DYNAMICS; ARRHENIUS; CANONICAL VARIATIONAL TRANSITION-STATE THEORIES; CCSD; ELECTRON TRANSFER BEHAVIOR; EXPERIMENTAL DATA; EXPERIMENTAL VALUES; HYDROGEN ABSTRACTION; HYDROGEN ABSTRACTION REACTION; REACTION DYNAMICS; REACTIVE SITE; SMALL-CURVATURE TUNNELING; TEMPERATURE RANGE;

ABSTRACTING; FREE RADICAL REACTIONS; HYDROGEN; METHANE; QUANTUM CHEMISTRY; REACTION KINETICS;

RATE CONSTANTS;

FREE RADICAL; METHANE;

ARTICLE; CHEMISTRY; QUANTUM THEORY; TEMPERATURE;

FREE RADICALS; METHANE; QUANTUM THEORY; TEMPERATURE;

EID: 79954588654     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp200231n     Document Type: Article

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