Theoretical studies on bond dissociation energies for some thiol compounds by densitry functional theory and CBS-Q method

Journal of Theoretical and Computational Chemistry

Volumn 7, Issue 5, 2008, Pages 943-951

  Li, Xiao Hong ^a,b   Tang, Zheng Xin ^a   Jalbout, Abraham F ^c   Zhang, Xian Zhou ^d   Cheng, Xin Lu ^b  

^a HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SICHUAN UNIVERSITY   (China)

^c UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^d HENAN NORMAL UNIVERSITY   (China)

Author keywords

Bond dissociation energy; CBS Q method; Density functional theory; Thiol compounds

Indexed keywords

EID: 57349180678     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633608004258     Document Type: Article

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