Density functional studies of the heats of formation of several nitroester compounds

Journal of Molecular Structure: THEOCHEM

Volumn 815, Issue 1-3, 2007, Pages 151-156

  Li, Xiao Hong ^a,b   Zhang, Rui Zhou ^a   Yang, Xiang Dong ^b   Zhang, Hong ^b  

^a HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

Density functional theory; Geometry optimization; Heat of formation; Nitroesters

Indexed keywords

EID: 34250874447     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.03.029     Document Type: Article

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