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Structural Aspects of Rubidium Ion Selectivity by Tribenzo-21-crown-7 1a

✍ Scribed by Bryan, Jeffrey C.; Sachleben, Richard A.; Lavis, Jérôme M.; Davis, Matthew C.; Burns, John H.; Hay, Benjamin P.


Book ID
126786223
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
121 KB
Volume
37
Category
Article
ISSN
0020-1669

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## Abstract A density functional study has been performed on Rb^+^ and Cs^+^ complexes of mono and tribenzo derivatives of the 21Crown7 crown ether. Calculations have been carried out using the B3LYP functional together with a split valence basis set with additional polarization and diffuse functio