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Article Dans Une Revue Physical Chemistry Chemical Physics Année : 2022

Charge transfer and polarisability in ionic liquids: a case study

Frederik Philippi
Zheng Gong
Sascha Gehrke
  • Fonction : Auteur
Barbara Kirchner
Agílio Pádua
Patricia Hunt

Résumé

The practical use of ionic liquids benefits from an understanding of the underpinning structural and dynamic properties. Here we explore the interplay of charge transfer and polarisability in the molecular dynamics simulation of an ionic liquid.

Dates et versions

hal-03644382 , version 1 (19-04-2022)

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Frederik Philippi, Kateryna Goloviznina, Zheng Gong, Sascha Gehrke, Barbara Kirchner, et al.. Charge transfer and polarisability in ionic liquids: a case study. Physical Chemistry Chemical Physics, 2022, 24 (5), pp.3144-3162. ⟨10.1039/d1cp04592j⟩. ⟨hal-03644382⟩
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