More QR-SCMEH-MO calculations on group VIB transition metal molecules, M 2 (M = Cr, Mo, W, Sg) valence and valence-core effects

International Journal of Quantum Chemistry

Volumn 100, Issue 6, 2004, Pages 1170-1178

  Boudreaux, E A ^a   Baxter, E ^a  

^a UNIVERSITY OF NEW ORLEANS   (United States)

Author keywords

Diatomic transition metals; Molecular orbital calculations

Indexed keywords

DIATOMIC TRANSITION METALS; MOLECULAR ORBITAL CALCULATIONS; MOLECULAR ORBITALS (MO); SPIN-PAIRING ENERGIES;

ANTIFERROMAGNETISM; BINDING ENERGY; CORRELATION METHODS; DIMERS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; TRANSITION METALS;

QUANTUM THEORY;

EID: 17644374056     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20254     Document Type: Conference Paper

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