Assessment of split-charge equilibration model for development of polarizable force fields
Author:
Publisher
IOP Publishing
Subject
Computer Science Applications,Mechanics of Materials,Condensed Matter Physics,General Materials Science,Modeling and Simulation
Link
http://stacks.iop.org/0965-0393/23/i=7/a=074006/pdf
Reference45 articles.
1. Fluctuating charge force fields: recent developments and applications from small molecules to macromolecular biological systems
2. Polarizable Force Fields: History, Test Cases, and Prospects
3. Polarization effects in molecular mechanical force fields
4. Charge equilibration force fields for molecular dynamics simulations of lipids, bilayers, and integral membrane protein systems
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3. Systematic Optimization of a Fragment-Based Force Field against Experimental Pure-Liquid Properties Considering Large Compound Families: Application to Saturated Haloalkanes;Journal of Chemical Theory and Computation;2020-11-24
4. Molecular Dynamics Using Nonvariational Polarizable Force Fields: Theory, Periodic Boundary Conditions Implementation, and Application to the Bond Capacity Model;Journal of Chemical Theory and Computation;2019-09-26
5. Describing Molecular Polarizability by a Bond Capacity Model;Journal of Chemical Theory and Computation;2019-03-28
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