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Journal of Molecular Structure: THEOCHEM

Volumn 540, Issue , 2001, Pages 101-112

Highlevel ab initio and hybrid density functional theory study of the energy profile for the 1CO + 2CO + reaction

(2) Yu, Dian a,b Chen, Zhida a

a PEKING UNIVERSITY (China)

b Chongqing Teachers Coll (China)

Author keywords

1CO+ 2CO+ reaction; Complete basis set method; Hybrid density funtional theory study

Indexed keywords

CARBON MONOXIDE; CATION;

ARTICLE; CHEMICAL BOND; DENSITY; DISSOCIATION; ENERGY; ENTHALPY; HYBRID; IONIZATION; PARAMETER; REACTION ANALYSIS; STRUCTURE ANALYSIS;

EID: 0035805404 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(00)00717-X Document Type: Article

Times cited : (3)

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