Premium
Reply to the 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) -
Rotzinger François P.
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.200700794
Subject(s) - plea , uranyl , selection (genetic algorithm) , mechanism (biology) , ion , chemistry , computational chemistry , computer science , philosophy , epistemology , political science , law , artificial intelligence , organic chemistry
Not fulfilled satisfactorily : As a reply to the preceding Comment of V. Vallet, U. Wahlgren, and I. Grenthe, I prove that the conditions which must be fulfilled for the application of the MP2 technique are not satisfied unequivocally for uranyl(VI) complexes—a plea for a careful selection of the computational methods.