Quantum mechanical investigations of heme structure and vibrational spectra : effects of conformation, oxidation state, and electric field
Three conformers of a complex consisting of a Fe-porphyrin ring with axial imidazole groups FeP(Im)(2) that differed by orientation of axial imidazole groups were studied with quantum mechanical calculations in both reduced (neutral) and oxidized (cationic) states. In the reduced state, all three co...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 25(2009), 1 vom: 06. Jan., Seite 548-54 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
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2009
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article Research Support, U.S. Gov't, Non-P.H.S. Heme 42VZT0U6YR |
| Online verfügbar |
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