Article ID Journal Published Year Pages File Type
5394458 Computational and Theoretical Chemistry 2012 9 Pages PDF
Abstract
► SAPT energy terms along the double proton transfer path are studied. ► The exchange and induction terms have a major contribution in two minima on the IRC path. ► The ratio of induction to dispersion term is higher in two minima than along the path.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Computational study on interaction energy changes during double proton transfer process
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