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…

文献索引：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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被引用次数: 27

摘要

... 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. ...