Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/32993
Title: Interaction potentials of uranium cations with rare gases (RG) and transport of U+ in RG (RG = He, Ne, Ar, Kr, and Xe)
Authors: Lee, EPF
Viehland, LA
Johnsen, R
Breckenridge, WH
Wright, TG
Issue Date: 2011
Publisher: Amer Chemical Soc
Source: Journal of physical chemistry a, 2011, v. 115, no. 44, p. 12126-12131 How to cite?
Journal: Journal of Physical Chemistry A 
Abstract: We present accurate interaction potentials for uranium cations interacting with the rare gases (RG = He-Rn), using effective core potentials that include a description of the 5f electrons in the case of uranium, and justify this approximation in some detail. From these interaction potentials, spectroscopic parameters are derived for the U+-RG complexes. We also employ the potentials to calculate transport coefficients for U+ moving through a bath of each RG. In the case of U+ in He, we are able to compare with previous experimentally determined mobility values, and we make some minor corrections to the previously reported data; this revised data is presented.
URI: http://hdl.handle.net/10397/32993
ISSN: 1089-5639
DOI: 10.1021/jp2076879
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