19) M. Brehm, H. Weber, A. S. Pensado, A. Stark, B. Kirchner
Proton transfer and polarity changes in ionic liquid–water mixtures: a perspective on hydrogen bonds from ab initio molecular dynamics at the example of 1-ethyl-3-methylimidazolium acetate–water mixtures—Part 1
Phys. Chem. Chem. Phys., Advance Article (2012)
18) A. S. Pensado, M. Brehm, J. Thar, A. P. Seitsonen, B. Kirchner
Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-methylimidazolium Thiocyanate
ChemPhysChem, Early view (2012)
17) B. Kirchner, Ph. J. di Dio, J. Hutter
Real-World Predictions from Ab Initio Molecular Dynamics Simulations
Top. Curr. Chem., 307, 109-154 (2012)
16) J. Kiefer, K. Noack, B. Kirchner
Hydrogen Bonding in Mixtures of Dimethyl Sulfoxide and Cosolvents
Current Physical Chemistry, 1 (12), 340-351 (2011)
15) E. Perlt, J. Friedrich, M. v. Domaros, B. Kirchner
Importance of Structural Motifs in Liquid Hydrogen Fluoride
invited to appear in
Chem. Phys. Chem., 12 (17), 3474-3482 (2011)
14) M. Brüssel, Ph. J. di Dio, K. Muñiz, B. Kirchner
Comparison of Free Energy Surfaces Calculations from Ab Initio Molecular Dynamic Simulations at the Example of Two Transition Metal Catalyzed Reactions
invited to appear in
Int. J. Mol. Sci., 12 (2), 1389-1409 (2011)
13) S. B. C. Lehmann, M. Roatsch, M. Schöppke, B. Kirchner
On the physical origin of the cation-anion intermediate bond in ionic iquids Part I. Placing a (weak) hydrogen bond between two charges
invited to appear in
Phys. Chem. Chem. Phys., 12 (27), 7473-7486 (2010)
12) V. Kempter, B. Kirchner
The role of hydrogen atoms in interactions involving imidazolium-based ionic liquids
J. Mol. Struct., 972, 22-34 (2010)
11) B. Kirchner
Ionic Liquids from theoretical investigations
Topics in current chemistry, 290, 213-262 (2010)
10) B. Kirchner
Editorial: Ionic Liquids
Topics in current chemistry, 290, xi-xiii (2010)
9) B. Kirchner
Bookreview: Handbook of Biomineralization Strategies and Techniques to Promote Plant Growth
Biotechnology Journal, 8, 1225-1226 (2009)
8) B. Kirchner, F. Wennmohs, S. Ye, F. Neese
Theoretical Bioinorganic Chemistry: Electronic Structure Makes a Difference
invited to appear in
Curr. Op. Chem. Biol., 11, 134-141 (2007)
7) B. Kirchner
Eigen or Zundel ion: News from calculated and experimental photoelectron spectroscopy
invited highlight to appear in
Phys. Chem. Phys., 8 (1), 41-43 (2007)
6) B. Kirchner
Theory of complicated liquids, invited review to appear in
Phys. Rep., 440 (1-3), 1-111 (2007)
5) J. Thar, W. Reckien, B. Kirchner
Car-Parrinello Simulations for large systems, invited review to appear in
Computational tools and Theoretical Studies in Biology, ed. M. Reiher
Topic in Current Chemistry, Springer Series
4) B. Kirchner, M. Reiher
Theoretical Methods in Supramolecular Chemistry, invited review to appear in
Analytical Methods in Supramolecular Chemistry, ed. C. A. Schalley
3) B. Kirchner, J. Hutter, I.-F. W. Kuo, C. J. Mundy
Hydrophobic Hydration from Car-Parrinello Simulations
Int. J. Mod. Phys. B 18, 1951-1962 (2004)
2) B. Kirchner
Relativistic Electronic Structure Theory--Part 1. Fundamentals.
Editor P. Schwerdtfeger
ChemPhysChem, 5, 582-582 (2004)
1) H. Huber, A. Dyson, B. Kirchner
Calculation of bulk properties of liquids and supercritical fluids from pure theory.
Chem. Soc. Rev., 28, 121-133, (1999)