Theoretical study of the C-Cl bond dissociation enthalpy and electronic structure of substituted chlorobenzene compounds

Chinese Journal of Chemical Physics

Volumn 22, Issue 3, 2009, Pages 235-240

  Zhang, Rui Zhou ^a   Li, Xiao Hong ^a,b   Zhang, Xian Zhou ^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 compound

Indexed keywords

CHEMICAL BONDS; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTRONIC STRUCTURE; ENTHALPY; QUANTUM CHEMISTRY;

BOND DISSOCIATION ENERGIES; BOND DISSOCIATION ENTHALPIES; HYBRID DENSITY FUNCTIONAL THEORY; QUANTUM CHEMICAL CALCULATIONS; STABILITY ORDERS; SUBSTITUENT EFFECT; SUBSTITUTED CHLOROBENZENE COMPOUND; THEORETICAL STUDY;

CHLORINE COMPOUNDS;

EID: 69049093880     PISSN: 16740068     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-0068/22/03/235-240     Document Type: Article

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