A Simple Potential Model Criterion for the Quality of Atomic Charges
Author:
Affiliation:
1. Instituto de Química, Universidade Estadual de Campinas, CP 6154, 13083-970 Campinas, SP, Brazil
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp984777e
Reference46 articles.
1. Core Electron Energies, Infrared Intensities, and Atomic Charges
2. Infrared Vibrational Intensities, Polar Tensors, and Core Electron Energies of the Group IV Hydrides and the Fluorosilanes
3. Calculation of atomic charges by an electronegativity equalization procedure
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