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144 Publications
2011 | Journal Article | LibreCat-ID: 44961
P. J. di Dio, M. Brehm, and B. Kirchner, “Singular Value Decomposition for Analyzing Temperature- and Pressure-Dependent Radial Distribution Functions: Decomposition into Grund RDFs (GRDFs),” J. Chem. Theory Comput., vol. 7 (10), pp. 3035–3039, 2011, doi: 10.1021/ct2003385.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 44960
M. Brüssel, M. Brehm, T. Voigt, and B. Kirchner, “Ab initio Molecular Dynamics Simulations of a Binary System of Ionic Liquids,” Phys. Chem. Chem. Phys., vol. 13, pp. 13617–13620, 2011, doi: 10.1039/C1CP21550G.
LibreCat
| DOI
2011 | Journal Article | LibreCat-ID: 44958
M. Brehm and B. Kirchner, “TRAVIS – A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories,” J. Chem. Inf. Model., vol. 51 (8), pp. 2007–2023, 2011, doi: 10.1021/ci200217w.
LibreCat
| DOI
2009 | Journal Article | LibreCat-ID: 44957
J. Thar, M. Brehm, A. P. Seitsonen, and B. Kirchner, “Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids,” J. Phys. Chem. B, vol. 113 (46), pp. 15129–15132, 2009, doi: 10.1021/jp908110j.
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