Article ID Journal Published Year Pages File Type
5394541 Computational and Theoretical Chemistry 2012 12 Pages PDF
Abstract
► Cooperativity effect is present in the complex with moderate interaction. ► Anti-cooperativity effect is found in the complex with strong Na+⋯O interaction. ► The nature of cooperativity effect is the shift of electron density.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A B3LYP and MP2(full) theoretical investigation on the cooperativity effect between cation-molecule and hydrogen-bonding interactions in the O-cresol complex with Na+
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