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- W2089415557 abstract "The structural dependence of the singlet-triplet splitting in doubly bridged copper (II) dimers is evaluated by means of a variational CI procedure based on the theory of effective Hamiltonians which includes all the differential second order contributions. The influence of out-of-plane distortions-in twisted, folded and bifolded geometries-has been studied in [Cu2Cl6]2− and [Cu2Br6]2− anions. The in-plane distortion of the bridge angle has also been analyzed in the model compounds [Cu(NH3)2OH]2+2 and [CuCl2OH]2−2. The sign and the magnitude of the gap are in agreement with experimental trends." @default.
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- W2089415557 date "1994-02-01" @default.
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- W2089415557 title "Structural dependence of the singlet-triplet gap in doubly bridged copper dimers: a variational CI calculation" @default.
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- W2089415557 doi "https://doi.org/10.1016/0301-0104(94)87014-4" @default.
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