Calculation of electron affinities for small homonuclear and heteronuclear diatiomic molecules with the CBS-QB3 and G3B3 method: Basis set effects, and need for further development

Journal of Molecular Structure: THEOCHEM

Volumn 574, Issue 1-3, 2001, Pages 141-143

  Jalbout, A F ^a   Jalbout, F N ^b   Alkahby, H Y ^b  

^a UNIVERSITY OF NEW ORLEANS   (United States)

^b DILLARD UNIVERSITY   (United States)

Author keywords

B3LYP; CBS QB3; CCSD (T); G3B3; QCISD (T)

Indexed keywords

ACCURACY; ANALYTIC METHOD; ARTICLE; ATOMIC PARTICLE; CALCULATION; ELECTRON; MOLECULAR DYNAMICS; MOLECULAR INTERACTION;

EID: 0035900234     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(01)00644-3     Document Type: Article

References (9)