ChemInform Abstract: EPR Investigations of Synthetic Manganese Complexes as Biomimics of the Water Oxidation Complex in Photosystem II
β Scribed by P. Huang; P. Kurz; S. Styring
- Publisher
- John Wiley and Sons
- Year
- 2009
- Weight
- 15 KB
- Volume
- 40
- Category
- Article
- ISSN
- 0931-7597
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Density functional theory (DFT) and time-dependent DFT (TDDFT) calculations are reported on three sets of isomeric models of the {Mn(4)/Ca} water-oxidizing complex of photosystem II (PS II), which share the general formula [CaMn(4)O(4)(N(2)C(3)H(4))(RCOO)(6)](q)β (H(2)O)(n) (R=H, CH(3); q=-1, 0, +1,
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