Ab initio direct dynamics studies on the reactions of H atoms with CCl4 and CHCl3

Journal of Physical Chemistry A

Volumn 106, Issue 51, 2002, Pages 12292-12298

  Sheng, Li ^a   Li, Ze Sheng ^a   Liu, Jing Yao ^a   Xiao, Jing Fa ^a   Sun, Chia Chung ^a  

^a JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CANONICAL VARIATIONAL TRANSITION STATE THEORY; CHLORINATED HYDROCARBONS; MINIMUM ENERGY PATHS;

ATOMS; CARBON TETRACHLORIDE; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; HYDROGEN; NUMERICAL ANALYSIS; RATE CONSTANTS; THERMAL EFFECTS;

MOLECULAR DYNAMICS;

EID: 0037180733     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp022109u     Document Type: Article

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