Systematic DFT Study of Gas Phase and Solvated Uranyl and Neptunyl Complexes [AnO2X4] n (An= U, Np; X= F, Cl, OH, n=-2; X= H2O, n=+ 2)

M García-Hernández, C Willnauer, S Krüger…

Index: Gibb,J.C. et al. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1974 , p. 807 - 811

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Citation Number: 27

Abstract

... Select a Journal or Book ... 53 In addition, we rationalized the experimentally observed different stabilities of the uranyl complexes associated with the chemical nature of the ... This conformer corresponds to the “trans 2 up, 2 down” structure found by Schreckenbach et al. ...