Theoretical study and rate constant calculation for reaction of CF 3CH2OH with OH

Journal of Computational Chemistry

Volumn 28, Issue 4, 2007, Pages 802-810

  Wang, Ying ^a   Liu, Jing Yao ^a   Li, Ze Sheng ^a   Wang, Li ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

Direct dynamics; Rate constant; Variational transition state theory

Indexed keywords

ENTHALPY; GEOMETRY; POTENTIAL ENERGY; THERMODYNAMICS;

ABSTRACTION CHANNELS; DIRECT DYNAMICS; REACTION CHANNELS; VARIATIONAL TRANSITION STATE THEORY;

RATE CONSTANTS;

EID: 33847743432     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20592     Document Type: Article

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