Spin-dependent binding of dioxygen to heme and charge-transfer mechanism of spin-orbit coupling enhancement
Spin-orbit coupling (SOC) between the starting triplet ³A''(2) state from the entrance channel of the heme-O2 binding reaction and the final singlet ¹A'(1) open-shell state, which are dominated by the Fe^3+-O2-radical-pair structures, is studied. Simulated potential energy surface cro...
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| Date: | 2008 |
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| Main Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут молекулярної біології і генетики НАН України
2008
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| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/7352 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Spin-dependent binding of dioxygen to heme and charge-transfer mechanism of spin-orbit coupling enhancement / B.F. Minaev, V.A. Minaeva // Ukrainica Bioorganica Acta. — 2008. — Т. 6, № 2. — С. 56-64. — Бібліогр.: 25 назв. — англ. |