A density functional study of substituted pyrazole derivatives

Journal of Molecular Structure: THEOCHEM

Volumn 896, Issue 1-3, 2009, Pages 96-102

  Li, Yu Fang ^a   Fan, Xiao Wei ^a   Wang, Zun Yao ^b   Ju, Xue Hai ^a  

^a Key Laboratory of Soft Chemistry and Functional Materials   (China)

^b JIAXING UNIVERSITY   (China)

Author keywords

Bond dissociation energy; Density functional theory; Heats of formation; Isodesmic reaction; Substituted pyrazole

Indexed keywords

EID: 58849117959     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.11.004     Document Type: Article

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