Spin states in polynuclear clusters : the [Fe2O2] core of the methane monooxygenase active site
The ability to provide a correct description of different spin states of mono- and polynuclear transition metal complexes is essential for a detailed investigation of reactions that are catalyzed by such complexes. We study the energetics of different total and local spin states of a dinuclear oxyge...
| Publié dans: | Journal of computational chemistry. - 1984. - 27(2006), 12 vom: 03. Sept., Seite 1223-39 |
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| Auteur principal: | |
| Autres auteurs: | , |
| Format: | Article |
| Langue: | English |
| Publié: |
2006
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't Ferric Compounds ferric oxide 1K09F3G675 Oxygenases EC 1.13.- methane monooxygenase EC 1.14.13.25 |