The performance of the rapid estimation of basis set error and correlation energy from partial charges method on new molecules of the G3/99 test set

Theoretical Chemistry Accounts

Volumn 106, Issue 6, 2001, Pages 404-411

  Kristyán, Sándor ^a   Ruzsinszky, Adrienn ^b   Csonka, Gábor I ^b  

^a CHEMICAL RESEARCH CENTER   (Hungary)

^b BUDAPEST UNIVERSITY OF TECHNOLOGY AND ECONOMICS   (Hungary)

Author keywords

B3LYP method; Energy parameters; Enthalpies of formation; G3 method; Partial charges

Indexed keywords

EID: 0035621374     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140100290     Document Type: Article

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