On combining Thole's induced point dipole model with fixed charge distributions in molecular mechanics force fields
Author:
Affiliation:
1. Department of Applied Physics; Aalto University; P.O. Box 14100, FI-00076 Aalto Finland
2. Department of Chemistry; Aalto University; P.O. Box 16100, FI-00076 Aalto Finland
Funder
Suomen Akatemia
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23850/fullpdf
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3. Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications
4. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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1. A Fast, Convenient, Polarizable Electrostatic Model for Molecular Dynamics;Journal of Chemical Theory and Computation;2024-01-19
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