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Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide

Kohagen, Miriam and Brehm, Martin and Thar, Jens and Zhao, Wei and Mueller-Plathe, Florian and Kirchner, Barbara (2011):
Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide.
In: Journal of Physical Chemistry B, pp. 693-702, 115, [Article]

Item Type: Article
Erschienen: 2011
Creators: Kohagen, Miriam and Brehm, Martin and Thar, Jens and Zhao, Wei and Mueller-Plathe, Florian and Kirchner, Barbara
Title: Performance of Quantum Chemically Derived Charges and Persistence of Ion Cages in Ionic Liquids. A Molecular Dynamics Simulations Study of 1-n-Butyl-3-methylimidazolium Bromide
Language: German
Journal or Publication Title: Journal of Physical Chemistry B
Volume: 115
Divisions: Exzellenzinitiative > Clusters of Excellence > Center of Smart Interfaces (CSI)
Zentrale Einrichtungen
Exzellenzinitiative
Exzellenzinitiative > Clusters of Excellence
Date Deposited: 17 Dec 2014 13:19
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