Abstract
Structural characteristics and energies of [UO2Cl4(BMIm) n ](n–2)+ (n = 1-4) solvation complexes have been studied by the density functional theory (DFT) method in the SVWN5 local functional approximation.
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Original Russian Text © V.Yu. Buz’ko, G.Yu. Chuiko, Kh.B. Kushkhov, 2016, published in Zhurnal Neorganicheskoi Khimii, 2016, Vol. 61, No. 3, pp. 338-344.
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Buz’ko, V.Y., Chuiko, G.Y. & Kushkhov, K.B. Density functional theory study of UO 2+2 solvation in 1-butyl-3-methylimidazolium chloride. Russ. J. Inorg. Chem. 61, 321–326 (2016). https://doi.org/10.1134/S0036023616030062
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DOI: https://doi.org/10.1134/S0036023616030062