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Journal of Biological Inorganic Chemistry

Volumn 8, Issue 5, 2003, Pages 507-511

Ab initio multiconfiguration reference perturbation theory calculations on the energetics of low-energy spin states of iron(III) porphyrins

(3) Ghosh, Abhik a,b Persson, B Joakim b Taylor, Peter R b

a UNIVERSITY OF TROMSØ (Norway)

b UNIVERSITY OF CALIFORNIA (United States)

Author keywords

Ab initio; CASPT2; Density functional theory; Iron; Porphyrin

Indexed keywords

HEMATIN; IRON DERIVATIVE; PORPHYRIN DERIVATIVE;

AB INITIO CALCULATION; ACCELERATION; ANALYTIC METHOD; ARTICLE; CALCULATION; ENERGY TRANSFER; INTERMETHOD COMPARISON; PRIORITY JOURNAL; THEORY;

EID: 0037806028 PISSN: 09498257 EISSN: None Source Type: Journal
DOI: 10.1007/s00775-002-0435-2 Document Type: Article

Times cited : (68)

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