Journal of Computational Chemistry· 2019Q1
Exploring Nature and Predicting Strength of Hydrogen Bonds: A Correlation Analysis Between Atoms‐in‐Molecules Descriptors, Binding Energies, and Energy Components of Symmetry‐Adapted Perturbation Theory
- 1,563citations
- Q1SCImago
- 2019year
Short summary
This study proposes a new classification of hydrogen bonds (HBs) based on their interaction energies and dominant forces, and develops predictive equations using electron density at the bond critical point.
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Physical and Theoretical ChemistryChemistry