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Comment on “The Water‐Exchange Mechanism of the [UO 2 (OH 2 ) 5 ] 2+ Ion Revisited: The Importance of a Proper Treatment of Electron Correlation” [F. P. Rotzinger Chem. Eur. J. , 2007, 13 , 800]
Author(s) -
Vallet Valérie,
Wahlgren Ulf,
Grenthe Ingmar
Publication year - 2007
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200601890
Subject(s) - uranyl , degeneracy (biology) , electron , electronic correlation , ion , chemistry , physics , atomic physics , nuclear physics , quantum mechanics , bioinformatics , biology
Fulfilled satisfactorily : As a reply to the statements of F. P. Rotzinger [ Chem. Eur. J. , 2007, 13 , 800] we demonstrate that the MP2 method can be applied to uranyl(VI) complexes because dynamic electron correlation effects dominate and static electron correlation of the near‐degeneracy type is absent.