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Physical Review Letters|November 22, 2002
Fast anomalous diffusion of small hydrophobic species in waterBarbara Kirchner, John Stubbs, Dominik MarxThe Journal of Physical Chemistry. B|October 27, 2018
Molecular Dynamics Simulations of Lithium-Doped Ionic-Liquid ElectrolytesPromit Ray, Andrea Balducci, Barbara KirchnerThe Journal of Chemical Physics|March 9, 2021
How is CO2 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 ReiherPhysical Chemistry Chemical Physics : PCCP|February 9, 2019
Cation influence on heterocyclic ammonium ionic liquids: a molecular dynamics studyPromit Ray, Roman Elfgen, Barbara KirchnerAccounts of Chemical Research|November 14, 2017
A Molecular Level Understanding of Template Effects in Ionic LiquidsRoman Elfgen, Oldamur Hollóczki, Barbara KirchnerPhysical Chemistry Chemical Physics : PCCP|March 7, 2014
Floating orbital molecular dynamics simulationsEva Perlt, Marc Brüssel, Barbara KirchnerThe Journal of Chemical Physics|April 8, 2010
Structure and dynamics of the protic ionic liquid monomethylammonium nitrate ([CH3NH3][NO3]) from ab initio molecular dynamics simulationsStefan Zahn, Jens Thar, Barbara KirchnerChemical Communications (Cambridge, England)|May 13, 2010
Tin-lanthanoid donor-acceptor bondsKornelia Zeckert, Stefan Zahn, Barbara KirchnerPhysical Chemistry Chemical Physics : PCCP|March 2, 2012
Performance of dispersion-corrected density functional theory for the interactions in ionic liquidsStefan Grimme, Waldemar Hujo, Barbara KirchnerPageof 19