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  • Oxygen exchange in uranyl hydroxide via two "nonclassical" ions 

    Buehl, Michael; Schreckenbach, Georg (2010-04-19) - Journal article
    A recently proposed pathway for the scrambling of axial (uranyl) and equatorial 0 atoms in [UO2(OH)4]2- (1) is refined using Car-Parrinello molecular dynamics (CPMD) simulations in an explicit solvent (water) and with model ...