Spin densities of quinoxaline anions

Spin densities of quinoxaline anions

The paper presents an assignment of the hyperfine splitting (h.f.s.) constants for three quinoxalines. The results are in disagreement with the spin densities from two recent SCF-MO calculations using unrestricted Hartree-Fock wavefunctions.

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Veröffentlicht in:Molecular physics 1969-01, Vol.16 (6), p.589-592
Hauptverfasser: Pedersen, J.A., Muus, L.T.
Format: Artikel
Sprache:eng
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Zusammenfassung:The paper presents an assignment of the hyperfine splitting (h.f.s.) constants for three quinoxalines. The results are in disagreement with the spin densities from two recent SCF-MO calculations using unrestricted Hartree-Fock wavefunctions.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268976900100651