Comparative Investigation of the Structure and IR of Tetrazolate Ion with Density Functional Theory and MP2 Ab initio Methods

Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities

Volumn 20, Issue 5, 1999, Pages 786-787

  Chen, Zhao Xu ^a   Xiao, He Ming ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Ab initio; Density functional theory; IR spectra; Tetrazolate ion; Thermodynamic properties

Indexed keywords

EID: 0346511447     PISSN: 02510790     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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