Geometries, electronic structures, and excited states of UN2, NUO+, and UO 2 2+ : a combined CCSD(T), RAS/CASPT2 and TDDFT study

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Bibliographic Details
Published in:Theoretical chemistry accounts 2011-06, Vol.129 (3-5), p.467-481
Main Authors: Wei, Fan, Wu, Guoshi, Schwarz, W. H. Eugen, Li, Jun
Format: Article
Language:English
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ISSN:1432-881X
1432-2234
DOI:10.1007/s00214-010-0885-5