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- W2032458003 abstract "Abstract The electronic structures of the copper and silver oxides Cu 2 O, Cu 2 S, Ag 2 O and Ag 2 S have been calculated in the local density functional approximation. The structures closely resemble an O − or S − bridging an M + 2 as shown by the geometries and the charge distributions. The symmetric stretch frequency exceeds that of the asymmetric stretch as well as the stretch in the free diatomic. The electronic structures of the oxides and sulfides are similar with the HOMO having most of its density on the oxygen or sulfur. The predicted ionization potentials are also similar." @default.
- W2032458003 created "2016-06-24" @default.
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- W2032458003 date "1992-02-01" @default.
- W2032458003 modified "2023-09-23" @default.
- W2032458003 title "Description of the ground state electronic structures of Cu2O, Cu2S, Ag2O and Ag2S" @default.
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- W2032458003 doi "https://doi.org/10.1016/0009-2614(92)85220-5" @default.
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