Refinement of the Optimized Potentials for Liquid Simulations Force Field for Thermodynamics and Dynamics of Liquid Alkanes
Author:
Affiliation:
1. Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States
Funder
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.2c03686
Reference72 articles.
1. Conformational analysis. LXIX. Improved force field for the calculation of the structures and energies of hydrocarbons
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5. Free Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS All-Atom Model
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