The effect of off‐center σ‐hole on the atom‐centered partial charges in halogenated molecules
Author:
Affiliation:
1. Department of Physical Chemistry University of Chemistry and Technology Prague Czech Republic
Funder
Grantová Agentura České Republiky
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26841
Reference52 articles.
1. Electronegativity from Avogadro to Pauling: Part 1: Origins of the Electronegativity Concept
2. Charge Anisotropy: Where Atomic Multipoles Matter Most
3. σ-hole bonding between like atoms; a fallacy of atomic charges
4. Surface electrostatic potentials of halogenated methanes as indicators of directional intermolecular interactions
5. Halogen bonding: the σ-hole
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