Influence of the Lennard-Jones Combination Rules on the Simulated Properties of Organic Liquids at Optimal Force-Field Parametrization
Author:
Affiliation:
1. Laboratorium für Physikalische Chemie, ETH Zürich, CH-8093 Zürich, Switzerland
Funder
Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c01170
Reference118 articles.
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2. Molecular simulations and visualization: introduction and overview
3. Phase Transition for a Hard Sphere System
4. Studies in Molecular Dynamics. I. General Method
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