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Polarizable coarse-grained models for molecular dynamics simulation of liquid cyclohexane

Oliwia M Szklarczyk1, Eirini Arvaniti1, Wilfred F van Gunsteren1

  • 1Laboratory of Physical Chemistry, Department of Chemistry and Applied Biosciences, Swiss Federal Institute of Technology ETH, 8093, Zürich, Switzerland.

Journal of Computational Chemistry
|May 28, 2015
PubMed

Keywords:
GROMOScharge-on-spring modelcoarse-grainingcyclohexanedielectric permittivitymolecular dynamicspolarization

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