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Structural, Electronic and Thermochemical Study of Interaction Between Lanthanum Trivalent Ion with Diglycolamide Extractants Using Density Functional Theory
Published 2018-05-01“…Diglycolamides have been widely investigated for the high efficient extraction of lanthanide and actinide ions from nuclear wastes. In the present study, we have mainly investigated the structural changes of diglycolamides and their interaction with trivalent lanthanum cation from the structural, electronic and thermodynamical viewpoints, using density functional theory (DFT) approach. …”
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On the calculation of phase equilibrium of Thorium using van der Waals model
Published 2020-02-01“…Thorium is an actinide substance with an atomic number of 90. Natural thorium is radioactive and, although not fissile, it undergoes a nuclear reaction (n, γ) and then beta radiation into a fissile material of the uranium. …”
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