Development of an Accurate and Robust Polarizable Molecular Mechanics Force Field from ab Initio Quantum Chemistry
Author:
Affiliation:
1. Department of Chemistry, and Center for Biomolecular Simulation, Columbia University, New York, New York 10027
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0301103
Reference28 articles.
1. Oligomers of Poly(Ethylene Oxide): Molecular Dynamics with a Polarizable Force Field
2. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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