A modified potential energy surface for the C2H + H2 → C2H2 + H reaction and a theoretical study on its rate constants

Chemical Physics Letters

Volumn 409, Issue 4-6, 2005, Pages 249-254

  Ju, Li Ping ^a   Xie, Ting Xian ^a   Zhang, Xin ^a   Han, Ke Li ^a  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTRONIC STRUCTURE; POLARIZATION; POTENTIAL ENERGY; QUANTUM THEORY; RATE CONSTANTS; SURFACES; THERMAL EFFECTS;

AB INITIO CALCULATIONS; BARRIER HEIGHT; POTENTIAL ENERGY SURFACES (PES); QUANTUM DYNAMICS;

REACTION KINETICS;

EID: 20444479093     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.05.008     Document Type: Article

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