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Chemsuschem|May 10, 2018
How to Harvest Grotthuss Diffusion in Protic Ionic Liquid Electrolyte SystemsJohannes Ingenmey, Sascha Gehrke, Barbara KirchnerChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 24, 2016
Charge Spreading in Deep Eutectic SolventsStefan Zahn, Barbara Kirchner, Doreen MollenhauerPhysical Chemistry Chemical Physics : PCCP|February 14, 2019
Understanding the fluidity of condensed phase systems in terms of voids-novel algorithm, implementation and applicationSascha Gehrke, Roberto Macchieraldo, Barbara KirchnerPhysical Chemistry Chemical Physics : PCCP|December 19, 2014
Voronoi dipole moments for the simulation of bulk phase vibrational spectraMartin Thomas, Martin Brehm, Barbara KirchnerThe Journal of Physical Chemistry. B|April 25, 2024
Coordination Behavior of a Confined Ionic Liquid in Carbon Nanotubes from Molecular Dynamics SimulationsLeonard Dick, Kai Buchmüller, Barbara KirchnerThe Journal of Physical Chemistry. B|January 16, 2008
When is a molecule properly solvated by a continuum model or in a cluster ansatz? A first-principles simulation of alanine hydrationJens Thar, Stefan Zahn, Barbara KirchnerJournal of Chemical Theory and Computation|December 4, 2015
Basis Set Superposition Error along the Free-Energy Surface of the Water DimerJens Thar, Rainer Hovorka, Barbara KirchnerPhysical Review Letters|November 22, 2002
Fast anomalous diffusion of small hydrophobic species in waterBarbara Kirchner, John Stubbs, Dominik MarxThe Journal of Chemical Physics|March 9, 2021
How is CO<sub>2</sub> absorbed into a deep eutectic solvent?Vahideh Alizadeh, Lars Esser, Barbara KirchnerChemistry (Weinheim an Der Bergstrasse, Germany)|April 4, 2009
A stable six-coordinate intermediate in ammonia-dinitrogen exchange at Schrock's molybdenum catalystStephan Schenk, Barbara Kirchner, Markus ReiherPageof 18