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- W1990147182 abstract "We have computed the electronic structure of the free UF6 molecule in both its ground and excited state configurations. The calculations were performed at several internuclear distances (but maintaining Oh symmetry) using the non-relativistic multiple scattering Xα method. The computed equilibrium distance (≈2.00 Å) and ionization energy (≈13.0 eV) are in good agreement with experimental data. The computed charge transfer excitations correlate favorably with the UV absorption spectrum of UF6." @default.
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- W1990147182 date "1976-02-01" @default.
- W1990147182 modified "2023-09-23" @default.
- W1990147182 title "The calculated electronic structure of uranium hexafluoride" @default.
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- W1990147182 doi "https://doi.org/10.1016/0009-2614(76)80286-2" @default.
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