Studies on heats of formation for polycyanocubanes with density functional theory B3LYP method and semiempirical MO methods

Acta Chimica Sinica

Volumn 59, Issue 8, 2001, Pages 1230-1235

  Zhang, Ji ^a   Xiao, He Ming ^a   Xiao, Ji Jun ^a   Gong, Xue Dong ^a  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Density functional theory; Heat of formation; Isodesmic reactions; Polycyanocubanes; Semiempirical MO methods

Indexed keywords

EID: 0042409687     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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