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Florian Dommert, Katharina Wendler, Prof. Dr. Robert Berger, Dr. Luigi Delle Site and Prof. Dr. Christian Holm Force Fields for Studying the Structure and Dynamics of Ionic Liquids: A Critical Review of Recent Developments ChemPhysChem 13

Article first published online: 17 FEB 2012 | DOI: 10.1002/cphc.201100997

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The state of the art of force-field parametrization for ionic liquids is reviewed and an overview of the advantages and disadvantages of the various available force fields is provided. Insight obtained from recent electronic density functional results into the parametrization of partial charges and on the influence of polarization effects in bulk ionic liquids is highlighted.

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