Polarizable Empirical Force Field for Alkanes Based on the Classical Drude Oscillator Model
Author:
Affiliation:
1. Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201
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/jp053182y
Reference115 articles.
1. Empirical force field study of geometries and conformational transitions of some organic molecules
2. Molecular Dynamics Simulations of Neat Alkanes: The Viscosity Dependence of Rotational Relaxation
3. Combinedab initio/empirical approach for optimization of Lennard-Jones parameters
4. An Improved Empirical Potential Energy Function for Molecular Simulations of Phospholipids
5. An ab Initio Study on the Torsional Surface of Alkanes and Its Effect on Molecular Simulations of Alkanes and a DPPC Bilayer
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