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The Journal of Physical Chemistry. B|April 15, 2024
Unraveling the Morphology of [CC1Im]Cl Ionic Liquids Combining Cluster and Aggregation AnalysesTom Frömbgen, José Nuno Canongia Lopes, Barbara Kirchner, et al.Physical Chemistry Chemical Physics : PCCP|February 19, 2013
Computing vibrational spectra from ab initio molecular dynamicsMartin Thomas, Martin Brehm, Reinhold Fligg, et al.The Journal of Physical Chemistry. B|August 14, 2020
Are There Magic Compositions in Deep Eutectic Solvents? Effects of Composition and Water Content in Choline Chloride/Ethylene Glycol from Ab Initio Molecular DynamicsVahideh Alizadeh, Friedrich Malberg, Agílio A H Pádua, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|December 3, 2025
Denaturation of Water in Alkaline MeltsXudong Zhang, Oldamur Hollóczki, Johannes Ingenmey, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|November 20, 2004
Car-Parrinello molecular dynamics study of the initial dinitrogen reduction step in Sellmann-type nitrogenase model complexesBarbara Kirchner, Markus Reiher, Andreas Hille, et al.The Journal of Chemical Physics|May 13, 2006
Cooperativity in ionic liquidsSimone Kossmann, Jens Thar, Barbara Kirchner, et al.Physical Chemistry Chemical Physics : PCCP|September 17, 2013
Understanding the evaporation of ionic liquids using the example of 1-ethyl-3-methylimidazolium ethylsulfateFriedrich Malberg, Martin Brehm, Oldamur Hollóczki, et al.The Journal of Physical Chemistry Letters|February 26, 2019
Interfacial Domain Formation Enhances Electrochemical SynthesisOldamur Hollóczki, Roberto Macchieraldo, Barbara Gleede, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|September 21, 2004
A photochemical activation scheme of inert dinitrogen by dinuclear Ru(II) and Fe(II) complexesMarkus Reiher, Barbara Kirchner, Jürg Hutter, et al.Journal of Chemical Theory and Computation|November 24, 2015
Short Time Dynamics of Ionic Liquids in AIMD-Based Power SpectraKatharina Wendler, Martin Brehm, Friedrich Malberg, et al.Pageof 18