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- W2016349382 abstract "The polarization energies of AB compounds, with A a monovalent or divalent cation with an (ns)2-lone pair and B an anion with a noble gas electronic configuration, have been calculated to investigate whether the stereochemical activity of the (ns)2-ion can be understood in an ionic picture. Computations have been performed applying the computer program EWALD. Formal ionic charges and partly estimated polarizabilities have been used. The polarization energy is shown to be predominantly due to cation polarization and may constitute an appreciable fraction of the total lattice energy. Hence, it can play a crucial role in the formation of structures, in which the (ns)2-ion is in a noncentrosymmetrical environment." @default.
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- W2016349382 date "1981-04-01" @default.
- W2016349382 modified "2023-09-25" @default.
- W2016349382 title "Calculation of polarization energies in some III–VII and IV–VI compounds with stereochemically active (ns)2-ions" @default.
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- W2016349382 doi "https://doi.org/10.1016/0022-4596(81)90083-9" @default.
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