Alfa and remote substituent effects on the homolytic dissociation energies of O-H bonds

Journal of Molecular Structure: THEOCHEM

Volumn 674, Issue 1-3, 2004, Pages 241-249

  Fu, Yao ^a   Liu, Lei ^a   Mou, Yi ^a   Lin, Bo Lin ^a   Guo, Qing Xiang ^a,b  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

Bond dissociation energy; Composite ab initio method; Solvation effect; Substituent effect

Indexed keywords

AB INITIO CALCULATION; ANALYTIC METHOD; ARTICLE; CHEMICAL BOND; COMPLEX FORMATION; CONJUGATION; DISSOCIATION; ELECTRON TRANSPORT; ENERGY; GEOMETRY; SOLVATION;

EID: 1942468569     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00326-9     Document Type: Article

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