Theoretical study and rate constant calculation of the Cl + HOCl and H + HOCl reactions

Journal of Physical Chemistry A

Volumn 107, Issue 24, 2003, Pages 4921-4928

  Wang, Li ^a   Liu, Jing Yao ^a   Li, Ze Sheng ^a   Huang, Xu Ri ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BRANCHING RATIO; HYDROGEN ABSTRACTION CHANNEL; INTERPOLATED SINGLE POINT ENERGY; MINIMUM ENERGY PATH; REACTANT CHANNEL; SMALL CURVATURE TUNNELING CORRECTION;

CALCULATIONS; CHLORINE; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; ELECTRON TUNNELING; ELECTRONIC STRUCTURE; HYDROGEN; INTERFACIAL ENERGY; LOW TEMPERATURE EFFECTS; MOLECULAR DYNAMICS; POTENTIAL ENERGY;

RATE CONSTANTS;

EID: 0037899607     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0277558     Document Type: Article

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