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The Electronic Spectrum of the UO2 Molecule

Published inJournal of the American Chemical Society, vol. 127, no. 1, p. 86-91
Publication date2005
Abstract

The electronic spectrum of the UO2 molecule has been determined using multiconfigurational wave functions together with the inclusion spin−orbit coupling. The molecule has been found to have a (5fphi)(7s), 3Φ2u, ground state. The lowest state of gerade symmetry, 3H4g, corresponding to the electronic configuration (5f)2 was found 3330 cm-1 above the ground state. The computed energy levels and oscillator strengths were used for the assignment of the experimental spectrum in the energy range 17 000−19 000 and 27 000−32 000 cm-1.

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Citation (ISO format)
GAGLIARDI, Laura et al. The Electronic Spectrum of the UO2 Molecule. In: Journal of the American Chemical Society, 2005, vol. 127, n° 1, p. 86–91. doi: 10.1021/ja044940l
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ISSN of the journal0002-7863
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