Molecular and Atomic Polarizabilities: Thole's Model Revisited
Author:
Affiliation:
1. Department of Chemistry (OMAC), University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp980221f
Reference27 articles.
1. Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme
2. A Polarizable Intermolecular Potential Function for Simulation of Liquid Alcohols
3. QM/MMpol: A Consistent Model for Solute/Solvent Polarization. Application to the Aqueous Solvation and Spectroscopy of Formaldehyde, Acetaldehyde, and Acetone
4. Direct reaction field force field: A consistent way to connect and combine quantum-chemical and classical descriptions of molecules
5. Implementation of reaction field methods in quantum chemistry computer codes
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