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144 Publications


2015 | Journal Article | LibreCat-ID: 34310
Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments
H. Elgabarty, R.Z. Khaliullin, T.D. Kühne, Nature Communications 6 (2015).
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2014 | Journal Article | LibreCat-ID: 44976
A Theoretical and Experimental Chemist’s Joint View on Hydrogen Bonding in Ionic Liquids and Their Binary Mixtures
A. Stark, M. Brehm, M. Brüssel, S.B.C. Lehmann, A.S. Pensado, M. Schöppke, B. Kirchner, Top. Curr. Chem. 351 (2014) 149–187.
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2014 | Journal Article | LibreCat-ID: 44975
Simulating the Vibrational Spectra of Ionic Liquid Systems: 1-Ethyl-3-Methylimidazolium Acetate and its Mixtures
M. Thomas, M. Brehm, O. Hollóczki, Z. Kelemen, L. Nyulászi, T. Pasinszki, B. Kirchner, J. Chem. Phys. 141 (2014) 024510.
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2014 | Journal Article | LibreCat-ID: 44974
Interactions in Ionic Liquids probed by in situ NMR Spectroscopy
R. Giernoth, A. Bröhl, M. Brehm, Y. Lingscheid, J. Mol. Liq. 192 (2014) 55–58.
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2014 | Journal Article | LibreCat-ID: 44973
Understanding Ionic Liquids from Theoretical Methods
S. Zahn, M. Brehm, M. Brüssel, O. Hollóczki, M. Kohagen, S.B.C. Lehmann, F. Malberg, A.S. Pensado, M. Schöppke, H. Weber, B. Kirchner, J. Mol. Liq. 192 (2014) 71–76.
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2014 | Journal Article | LibreCat-ID: 44972
How Can a Carbene be Active in an Ionic Liquid?
M. Thomas, M. Brehm, O. Hollóczki, B. Kirchner, Chem. Eur. J 20 (6) (2014) 1622–1629.
LibreCat | DOI
 

2014 | Journal Article | LibreCat-ID: 45767
Sign problem of the fermionic shadow wave function
F. Calcavecchia, F. Pederiva, M.H. Kalos, T.D. Kühne, Phys. Rev. E 90 (2014).
LibreCat
 

2014 | Journal Article | LibreCat-ID: 45768 LibreCat
 

2013 | Journal Article | LibreCat-ID: 44969 LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 44971
Understanding the Evaporation of Ionic Liquids using the Example of 1-Ethyl-3-Methylimidazolium Ethylsulfate
F. Malberg, M. Brehm, O. Hollóczki, A.S. Pensado, B. Kirchner, Phys. Chem. Chem. Phys. 15 (2013) 18424–18436.
LibreCat | DOI
 

2013 | Journal Article | LibreCat-ID: 44968
Carbene Formation in Ionic Liquids: Spontaneous, Induced, or Prohibited?
O. Hollóczki, D.S. Firaha, J. Friedrich, M. Brehm, R. Cybik, M. Wild, A. Stark, B. Kirchner, J. Phys. Chem. B 117 (19) (2013) 5898–5907.
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2013 | Journal Article | LibreCat-ID: 44970
Computing Vibrational Spectra from ab initio Molecular Dynamics
M. Thomas, M. Brehm, R. Fligg, P. Vöhringer, B. Kirchner, Phys. Chem. Chem. Phys. 15 (2013) 6608–6622.
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2013 | Journal Article | LibreCat-ID: 45769 LibreCat
 

2012 | Journal Article | LibreCat-ID: 44963
Effect of Dispersion on the Structure and Dynamics of the Ionic Liquid 1-Ethyl-3-Methylimidazolium Thiocyanate
A.S. Pensado, M. Brehm, J. Thar, A.P. Seitsonen, B. Kirchner, ChemPhysChem 13 (7) (2012) 1845–1853.
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2012 | Journal Article | LibreCat-ID: 44965
Short Time Dynamics of Ionic Liquids in AIMD-Based Power Spectra
K. Wendler, M. Brehm, F. Malberg, B. Kirchner, L.D. Site, J. Chem. Theory Comput. 8 (5) (2012) 1570–1579.
LibreCat | DOI
 

2012 | Journal Article | LibreCat-ID: 44967
A One-Parameter Quantum Cluster Equilibrium Approach
M. Brüssel, E. Perlt, M. von Domaros, M. Brehm, B. Kirchner, J. Chem. Phys. 137 (2012) 164107.
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2012 | Journal Article | LibreCat-ID: 44964 LibreCat | DOI
 

2012 | Journal Article | LibreCat-ID: 44966
On the Ideality of Binary Mixtures of Ionic Liquids
M. Brüssel, M. Brehm, A.S. Pensado, F. Malberg, M. Ramzan, A. Stark, B. Kirchner, Phys. Chem. Chem. Phys. 14 (2012) 13204–13215.
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2011 | Journal Article | LibreCat-ID: 44962
How Hydrogen Bonds Influence the Mobility of Imidazolium-Based Ionic Liquids. A Combined Theoretical and Experimental Study of 1-n-Butyl-3-Methylimidazolium Bromide
M. Kohagen, M. Brehm, Y. Lingscheid, R. Giernoth, J. Sangoro, F. Kremer, S. Naumov, C. Iacob, J. Kärger, R. Valiullin, B. Kirchner, J. Phys. Chem. B 115 (51) (2011) 15280–15288.
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2011 | Journal Article | LibreCat-ID: 44959 LibreCat | DOI
 

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