An examination of the electronic structure and spectroscopy of high- and low-spin model ferredoxin via several SCF and CI techniques

International Journal of Quantum Chemistry

Volumn 63, Issue 3, 1997, Pages 781-795

  Cory, Marshall G ^a   Stavrev, Krassimir K ^a   Zerner, Michael C ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

Ferredoxins; Hartree Fock theory; ROHF; Spin projection; UHF

Indexed keywords

EID: 0001122724     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-461X(1997)63:3<781::AID-QUA18>3.0.CO;2-7     Document Type: Article

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11. M. G. Cory, K. K. Stavrev, and M. C. Zerner, submitted.