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58 Publications


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.
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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.
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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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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.
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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
 

2011 | Journal Article | LibreCat-ID: 44961 LibreCat | DOI
 

2011 | Journal Article | LibreCat-ID: 44960
Ab initio Molecular Dynamics Simulations of a Binary System of Ionic Liquids
M. Brüssel, M. Brehm, T. Voigt, B. Kirchner, Phys. Chem. Chem. Phys. 13 (2011) 13617–13620.
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2011 | Journal Article | LibreCat-ID: 44958
TRAVIS – A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories
M. Brehm, B. Kirchner, J. Chem. Inf. Model. 51 (8) (2011) 2007–2023.
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2009 | Journal Article | LibreCat-ID: 44957
Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids
J. Thar, M. Brehm, A.P. Seitsonen, B. Kirchner, J. Phys. Chem. B 113 (46) (2009) 15129–15132.
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