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144 Publications
2011 | Journal Article | LibreCat-ID: 44961
di Dio, P. J., et al. “Singular Value Decomposition for Analyzing Temperature- and Pressure-Dependent Radial Distribution Functions: Decomposition into Grund RDFs (GRDFs).” J. Chem. Theory Comput., vol. 7 (10), 2011, pp. 3035–39, doi:10.1021/ct2003385.
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| DOI
2011 | Journal Article | LibreCat-ID: 44960
Brüssel, M., et al. “Ab Initio Molecular Dynamics Simulations of a Binary System of Ionic Liquids.” Phys. Chem. Chem. Phys., vol. 13, 2011, pp. 13617–20, doi:10.1039/C1CP21550G.
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| DOI
2011 | Journal Article | LibreCat-ID: 44958
Brehm, Martin, and B. Kirchner. “TRAVIS – A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories.” J. Chem. Inf. Model., vol. 51 (8), 2011, pp. 2007–23, doi:10.1021/ci200217w.
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2009 | Journal Article | LibreCat-ID: 44957
Thar, J., et al. “Unexpected Hydrogen Bond Dynamics in Imidazolium-Based Ionic Liquids.” J. Phys. Chem. B, vol. 113 (46), 2009, pp. 15129–32, doi:10.1021/jp908110j.
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