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• W2039695005 abstract "Reduction-oxidation (redox) reactions of the redox couples An(VI)/An(V), An(V)/An(IV), and An(IV)/An(III), where An is an element in the family of early actinides (U, Np, and Pu), as well as Am(VI)/Am(V) and Am(V)/Am(III), are modeled by combining density functional theory with a generalized Anderson impurity model that accounts for the strong correlations between the 5f electrons. Diagonalization of the Anderson impurity model yields improved estimates for the redox potentials and the propensity of the actinide complexes to disproportionate." @default.
• W2039695005 created "2016-06-24" @default.
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• W2039695005 date "2011-02-10" @default.
• W2039695005 modified "2023-10-10" @default.
• W2039695005 title "Strong correlations in actinide redox reactions" @default.
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• W2039695005 doi "https://doi.org/10.1063/1.3549571" @default.
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