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25 Publications
2021 | Journal Article | LibreCat-ID: 23612
Zhang, Y., Lewis, N. H. C., Mars, J., Wan, G., Weadock, N. J., Takacs, C. J., Lukatskaya, M. R., Steinrück, H.-G., Toney, M. F., Tokmakoff, A., & Maginn, E. J. (2021). Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies. The Journal of Physical Chemistry B, 125, 4501–4513. https://doi.org/10.1021/acs.jpcb.1c02189
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2019 | Journal Article | LibreCat-ID: 13870
Atorf, B., Auf der Landwehr, C. H., Rennerich, R., & Kitzerow, H.-S. (2019). Midinfrared Birefringence of Liquid Crystals, Polarimetry, and Intensity Modulators. The Journal of Physical Chemistry B, 1384–1389. https://doi.org/10.1021/acs.jpcb.8b10039
LibreCat
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2017 | Journal Article | LibreCat-ID: 39665
Knust, S., Wahle, M., & Kitzerow, H.-S. (2017). Ferroelectric Liquid Crystals in Microcapillaries: Observation of Different Electro-optic Switching Mechanisms. The Journal of Physical Chemistry B, 121(19), 5110–5115. https://doi.org/10.1021/acs.jpcb.7b00307
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2016 | Journal Article | LibreCat-ID: 13479
Lücke, A., Ortmann, F., Panhans, M., Sanna, S., Rauls, E., Gerstmann, U., & Schmidt, W. G. (2016). Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles. The Journal of Physical Chemistry B, 120, 5572–5580. https://doi.org/10.1021/acs.jpcb.6b03598
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2016 | Journal Article | LibreCat-ID: 39686
Zhang, B., & Kitzerow, H.-S. (2016). Influence of Proton and Salt Concentration on the Chromonic Liquid Crystal Phase Diagram of Disodium Cromoglycate Solutions: Prospects and Limitations of a Host for DNA Nanostructures. The Journal of Physical Chemistry B, 120(12), 3250–3256. https://doi.org/10.1021/acs.jpcb.6b01644
LibreCat
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2015 | Journal Article | LibreCat-ID: 23595
Kessler, J., Elgabarty, H., Spura, T., Karhan, K., Partovi-Azar, P., Hassanali, A. A., & Kühne, T. D. (2015). Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations. The Journal of Physical Chemistry B, 10079–10086. https://doi.org/10.1021/acs.jpcb.5b04185
LibreCat
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2015 | Journal Article | LibreCat-ID: 13500
Lücke, A., Schmidt, W. G., Rauls, E., Ortmann, F., & Gerstmann, U. (2015). Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT. The Journal of Physical Chemistry B, 119, 6481–6491. https://doi.org/10.1021/acs.jpcb.5b03615
LibreCat
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2015 | Journal Article | LibreCat-ID: 34309
Kessler, J., Elgabarty, H., Spura, T., Karhan, K., Partovi-Azar, P., Hassanali, A. A., & Kühne, T. (2015). Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations. The Journal of Physical Chemistry B, 119(31), 10079–10086. https://doi.org/10.1021/acs.jpcb.5b04185
LibreCat
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2014 | Journal Article | LibreCat-ID: 41977
Michels, R., Goerigk, G., Vainio, U., Gummel, J., & Huber, K. (2014). Coaggregation of Two Anionic Azo Dyestuffs: A Combined Static Light Scattering and Small-Angle X-ray Scattering Study. The Journal of Physical Chemistry B, 118(27), 7618–7629. https://doi.org/10.1021/jp502347b
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2013 | Journal Article | LibreCat-ID: 41980
Michels, R., Hertle, Y., Hellweg, T., & Huber, K. (2013). Kinetic and Structural Features of a Dyestuff Coaggregation Studied by Time-Resolved Static Light Scattering. The Journal of Physical Chemistry B, 117(48), 15165–15175. https://doi.org/10.1021/jp405206p
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2013 | Journal Article | LibreCat-ID: 41981
Michels, R., Sinemus, T., Hoffmann, J., Brutschy, B., & Huber, K. (2013). Co-Aggregation of Two Anionic Azo Dyestuffs at a Well-Defined Stoichiometry. The Journal of Physical Chemistry B, 117(28), 8611–8619. https://doi.org/10.1021/jp403985m
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2012 | Journal Article | LibreCat-ID: 15869
Wiebeler, C., Tautz, R., Feldmann, J., von Hauff, E., Da Como, E., & Schumacher, S. (2012). Spectral Signatures of Polarons in Conjugated Co-polymers. The Journal of Physical Chemistry B, 4454–4460. https://doi.org/10.1021/jp3084869
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2012 | Journal Article | LibreCat-ID: 39722
Lorenz, A., Zimmermann, N., Kumar, S., Evans, D. R., Cook, G., Fernández Martínez, M., & Kitzerow, H.-S. (2012). Doping a Mixture of Two Smectogenic Liquid Crystals with Barium Titanate Nanoparticles. The Journal of Physical Chemistry B, 117(3), 937–941. https://doi.org/10.1021/jp310624c
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2010 | Journal Article | LibreCat-ID: 34314
Heller, J., Elgabarty, H., Zhuang, B., Sebastiani, D., & Hinderberger, D. (2010). Solvation of Small Disulfonate Anions in Water/Methanol Mixtures Characterized by High-Field Pulse Electron Nuclear Double Resonance and Molecular Dynamics Simulations. The Journal of Physical Chemistry B, 114(22), 7429–7438. https://doi.org/10.1021/jp910335t
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2007 | Journal Article | LibreCat-ID: 41280
Bauer, M., & Bertagnolli, H. (2007). The Amplitude Reduction Factor and the Cumulant Expansion Method: Crucial Factors in the Structural Analysis of Alkoxide Precursors in Solution. The Journal of Physical Chemistry B, 111(49), 13756–13764. https://doi.org/10.1021/jp076386i
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2007 | Journal Article | LibreCat-ID: 42002
Lages, S., Schweins, R., & Huber, K. (2007). Temperature-Induced Collapse of Alkaline Earth Cation−Polyacrylate Anion Complexes. The Journal of Physical Chemistry B, 111(35), 10431–10437. https://doi.org/10.1021/jp068258k
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2006 | Journal Article | LibreCat-ID: 25993
Tiemann, M., Marlow, F., Brieler, F., & Lindén, M. (2006). Early Stages of ZnS Growth Studied by Stopped-Flow UV Absorption Spectroscopy: Effects of Educt Concentrations on the Nanoparticle Formation. The Journal of Physical Chemistry B, 23142–23147. https://doi.org/10.1021/jp0638383
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2005 | Journal Article | LibreCat-ID: 13701
Fuchs, F., Schmidt, W. G., & Bechstedt, F. (2005). Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations. The Journal of Physical Chemistry B, 109, 17649–17653. https://doi.org/10.1021/jp0501087
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2005 | Journal Article | LibreCat-ID: 13707
Hermann, A., Schmidt, W. G., & Bechstedt, F. (2005). Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response. The Journal of Physical Chemistry B, 109, 7928–7933. https://doi.org/10.1021/jp0500182
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2004 | Journal Article | LibreCat-ID: 13718
Preuss, M., Schmidt, W. G., & Bechstedt, F. (2004). Methyl Chloride Adsorption on Si(001)−Electronic Structure. The Journal of Physical Chemistry B, 108, 7809–7813. https://doi.org/10.1021/jp049661z
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