Theoretical studies on bond dissociation energies for some pyridine N-oxide biological compounds by density functional theory and CBS-4M method

Journal of Molecular Structure: THEOCHEM

Volumn 907, Issue 1-3, 2009, Pages 126-130

  Zheng Xin, Tang ^a   Xiao Hong, Li ^a   Xian Zhou, Zhang ^b  

^a HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b HENAN NORMAL UNIVERSITY   (China)

Author keywords

Bond dissociation energy (BDE); CBS 4M method; Density functional theory; Pyridine N oxide

Indexed keywords

EID: 67349123059     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.04.032     Document Type: Article

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