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- W138840993 abstract "Abstract The electronic structures and chemical bonding of actinyl nitrates [AnO 2 (NO 3 ) 2 · 2H 2 O, An=U, Np and Pu] was studied using the discrete-variational Dirac-Fock-Slater MO method. The strength of both the covalent and the ionic bonds decreases with atomic number of the actinide. This change arises from variations in both the occupancy and the energy of the HOMO. Changes in the energies of the HOMO and LUMO correspond to changes in the stability of the hexavalent state in the actinyl nitrates. The characteristics of each ligand bonds were also analyzed." @default.
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- W138840993 date "2000-01-01" @default.
- W138840993 modified "2023-09-27" @default.
- W138840993 title "Electronic structures and chemical bonding of actinyl nitrates dihydrates" @default.
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- W138840993 doi "https://doi.org/10.1016/s0065-3276(00)37024-1" @default.
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