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Are There Stable Ion-Pairs in Room-Temperature Ionic Liquids? Molecular Dynamics Simulations of 1-n-Butyl-3-methylimidazolium Hexafluorophosphate

W. Zhao, F. Leroy, B. Heggen, S. Zahn, B. Kirchner, S. Balasubramanian, и F. Müller-Plathe. Journal of the American Chemical Society, 131 (43): 15825-15833 (2009)PMID: 19827790.
DOI: 10.1021/ja906337p

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Barbara Kirchner

Barbara Miltner-Kirchner

Piero Kirchner

Multiplex-System für digitale Datenströme in multimedialen AnwendungenP. Kirchner. TU Ilmenau, (2009)

Heinz Kirchner

Johannes Kirchner

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Peacemaker 2: Making clusters talk about binary mixtures and neat liquids.M. von Domaros, E. Perlt, J. Ingenmey, G. Marchelli, и B. Kirchner. SoftwareX, (2018)Cluster Analysis in Liquids: A Novel Tool in TRAVIS.T. Frömbgen, J. Blasius, V. Alizadeh, A. Chaumont, M. Brehm, и B. Kirchner. J. Chem. Inf. Model., 62 (22): 5634-5644 (2022)TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories.M. Brehm, и B. Kirchner. Journal of Chemical Information and Modeling, 51 (8): 2007-2023 (2011)CONAN─Novel Tool to Create and Analyze Liquids in Confined Space.L. Dick, и B. Kirchner. J. Chem. Inf. Model., 63 (21): 6706-6716 (ноября 2023)Ionic Liquids from A1C13.B. Kirchner, A. Seitsonen, J. Hutter, и B. Hess. High Performance Computing in Science and Engineering, Springer, (2006)Are There Stable Ion-Pairs in Room-Temperature Ionic Liquids? Molecular Dynamics Simulations of 1-n-Butyl-3-methylimidazolium HexafluorophosphateW. Zhao, F. Leroy, B. Heggen, S. Zahn, B. Kirchner, S. Balasubramanian, и F. Müller-Plathe. Journal of the American Chemical Society, 131 (43): 15825-15833 (2009)PMID: 19827790.Predicting the Ionic Product of WaterE. Perlt, M. von Domaros, B. Kirchner, R. Ludwig, и F. Weinhold. Scientific Reports, (31.08.2017)TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectories.M. Brehm, и B. Kirchner. J. Cheminformatics, 4 (S-1): 1 (2012)What can clusters tell us about the bulk?: Peacemaker: Extended quantum cluster equilibrium calculations.B. Kirchner, C. Spickermann, S. Lehmann, E. Perlt, J. Langner, M. von Domaros, P. Reuther, F. Uhlig, M. Kohagen, и M. Brüssel. Comput. Phys. Commun., 182 (7): 1428-1446 (2011)

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