DFT study of the C-Cl bond dissociation enthalpies and electronic structure of substituted chlorobenzene compounds

Journal of Structural Chemistry

Volumn 50, Issue 1, 2009, Pages 34-40

  Li, X H ^a,b   Tang, Z X ^a   Zhang, X Z ^c  

^a HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SICHUAN UNIVERSITY   (China)

^c HENAN NORMAL UNIVERSITY   (China)

Author keywords

Bond dissociation enthalpy; Density functional theory; Substituent effect; Substituted chlorobenzene compounds

Indexed keywords

EID: 63349112375     PISSN: 00224766     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10947-009-0005-3     Document Type: Article

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