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Deviation of COSMO-RS predicted logarithmic activity coefficients of DEHiBA in different diluents with uranyl nitrate from the corresponding reference systems without uranyl nitrate. All calculations were performed on the BP-TZVPD-FINE level at a temperature of 25 °C with 4 conformers of DEHiBA and extractant concentrations of 1.5 mol DEHiBA per liter of diluent.
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