Theoretical calculation of bond dissociation energies and heats of formation for alkyl nitrate and nitrite compounds with density functional theory and complete basis set method

Journal of Theoretical and Computational Chemistry

Volumn 6, Issue 3, 2007, Pages 449-458

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

^a HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

Bond dissociation enthalpies; Density functional calculation; Heats of formation; Nitroester compounds

Indexed keywords

EID: 34548414656     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S021963360700312X     Document Type: Article

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