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• W2094913641 abstract "The magnetic behavior of the oxo-bridged Cu(II) dinuclear complexes has been investigated using hybrid density functional methods (B3LYP) and a post-Hartree−Fock approach (difference-dedicated configuration interaction method, DDCI). Both methods confirm the strong ferromagnetic coupling predicted for such complexes at geometries close to the energy minimum. For large Cu−O−Cu bridging angles, the DFT calculations predict an increase, whereas the DDCI method predicts a decrease of the ferromagnetic interaction, a result that is associated with the different weight of the excited charge-transfer configurations." @default.
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• W2094913641 date "2002-04-24" @default.
• W2094913641 modified "2023-09-23" @default.
• W2094913641 title "Further Theoretical Evidence for the Exceptionally Strong Ferromagnetic Coupling in Oxo-Bridged Cu(II) Dinuclear Complexes" @default.
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• W2094913641 doi "https://doi.org/10.1021/jp015565b" @default.
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