Article ID Journal Published Year Pages File Type
5394457 Computational and Theoretical Chemistry 2012 7 Pages PDF
Abstract
► Delocalization Indices have been tested as a hydrogen bond descriptor. ► Correlation between structural, energetic and topological indices has been analyzed. ► Hydrogen bond electronic nature is analyzed in the framework of electron-sharing indices. ► Delocalization Indices give a good picture of H2 formation in dihydrogen bonded systems.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Delocalization indices for non-covalent interaction: Hydrogen and DiHydrogen bond
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