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Theoretical Chemistry Accounts

Volumn 129, Issue 3-5, 2011, Pages 467-481

Geometries, electronic structures, and excited states of UN2, NUO+, and UO22+: A combined CCSD(T), RAS/CASPT2 and TDDFT study

(4) Wei, Fan a Wu, Guoshi a Schwarz, W H Eugen a,b Li, Jun a

a TSINGHUA UNIVERSITY (China)

b UNIVERSITY OF SIEGEN (Germany)

Author keywords

Density functional theory; Electron correlation; Excited states; Relativistic effects; UN2; UNO+; UO22+; Uranium; Uranyl

Indexed keywords

EID: 79955938332 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s00214-010-0885-5 Document Type: Article

Times cited : (44)

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