An accurate Gaussian basis set for N2, BF, and CO molecules

Journal of Molecular Structure: THEOCHEM

Volumn 589-590, Issue , 2002, Pages 359-364

  Jorge, F E ^a   Neto, A C ^a  

^a FEDERAL UNIVERSITY OF ESPÍRITO SANTO   (Brazil)

Author keywords

Gaussian basis set; Molecular improved generator coordinate Hartree Fock method; Second order electron correlation energies; Total energies

Indexed keywords

CARBON MONOXIDE; NITROGEN;

ACCURACY; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CORRELATION ANALYSIS; ELECTRON; ENERGY; METHODOLOGY;

EID: 0037119114     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00290-7     Document Type: Article

References (31)