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] | Zendy

Rotzinger François P. | Zendy

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.

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here

Accelerating Research