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- W1967302021 abstract "The experimental g-shift of TI2+: KCl, TI2+ :KBr and Pb3+ :KCl is theoretically analysed within the [ML6] cluster model (M metal ion; L ligand). Though the calculations include up to third-order contributions in energy (especially important for TI2+ :KBr) and reproduce the sign and the qualitative trends of the experimental g-shift of the systems studied, a reasonable quantitative agreement with the observed g-shift is, however, only reached for TI2+ :KCl. La valeur experimentale de g – g0 pour TI2+ :KCl, TI2+ :KBr et Pb3+ :KCl est analysèe en utilisant le modele du complexe [ML6] (M ion metallique; L ligand). Bien que les calculs incluent des contributions de troisième ordre en énergie (très importantes pour TI2+ :KBr) et reproduisent le signe et les tendances qualitatives montrès par la valeur experimentale de g – g0 de ces systemes cependent un accord quantitatif raisonable avec la valeur de g – g0 observè est obtenu seulement pour TI2+ :KCl." @default.
- W1967302021 created "2016-06-24" @default.
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- W1967302021 date "1979-12-01" @default.
- W1967302021 modified "2023-09-28" @default.
- W1967302021 title "The relation between bonding andg-shift for TI2+ and Pb3+ in alkali halides" @default.
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- W1967302021 doi "https://doi.org/10.1002/pssb.2220960219" @default.
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