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Inorganic Chemistry|December 21, 2005
Theoretical study of catalytic dinitrogen reduction under mild conditionsMarkus Reiher, Boris Le Guennic, Barbara KirchnerThe Journal of Chemical Physics|April 24, 2017
Predicting miscibility of binary liquids from small cluster QCE calculationsJohannes Ingenmey, Michael von Domaros, Barbara KirchnerPhysical Chemistry Chemical Physics : PCCP|August 4, 2012
The bulk and the gas phase of 1-ethyl-3-methylimidazolium ethylsulfate: dispersion interaction makes the differenceFriedrich Malberg, Alfonso S Pensado, Barbara KirchnerThe Journal of Physical Chemistry. A|November 28, 2006
Frequency analysis of amide-linked rotaxane mimeticsWerner Reckien, Barbara Kirchner, Sigrid D PeyerimhoffChemistry (Weinheim an Der Bergstrasse, Germany)|June 30, 2006
Characterising the electronic structure of ionic liquids: an examination of the 1-butyl-3-methylimidazolium chloride ion pairPatricia A Hunt, Barbara Kirchner, Tom WeltonChemistry (Weinheim an Der Bergstrasse, Germany)|November 4, 2005
Nitrogen fixation under mild ambient conditions: part I--the initial dissociation/association step at molybdenum triamidoamine complexesBoris Le Guennic, Barbara Kirchner, Markus ReiherAngewandte Chemie (International Ed. in English)|May 28, 2015
Computer-Aided Design of Ionic Liquids as CO2 AbsorbentsDzmitry S Firaha, Oldamur Hollóczki, Barbara KirchnerThe Journal of Physical Chemistry. B|June 15, 2006
Ionic liquids from Car-Parrinello simulations, part I: liquid AlCl3Barbara Kirchner, Ari P Seitsonen, Jürg HutterChemistry (Weinheim an Der Bergstrasse, Germany)|December 8, 2009
Cobalt(II) complexes of nitrile-functionalized ionic liquidsPeter Nockemann, Michael Pellens, Kristof Van Hecke, et al.Physical Chemistry Chemical Physics : PCCP|July 11, 2013
Assessment of Kohn-Sham density functional theory and Møller-Plesset perturbation theory for ionic liquidsStefan Zahn, Douglas R MacFarlane, Ekaterina I IzgorodinaPageof 23