Calculations of structure and IR-spectrum for small UF[sub 6] clusters

Beu, T.A.; Onoe, J.; Takeuchi, K.
April 1997
Journal of Chemical Physics;4/8/1997, Vol. 106 Issue 14, p5910
Academic Journal
Studies a site-site intermolecular potential model for UF[sub 6] clusters, featuring exchange, dispersion, electrostatic and induction terms. Parameters of the potential adjusted to monomer transition dipole moment; Determination of the UF[sub 6] cluster structures; Contributions of various potential terms to frequency shifts.


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