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25 Publications


2021 | Journal Article | LibreCat-ID: 23612
Y. Zhang et al., “Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies,” The Journal of Physical Chemistry B, vol. 125, pp. 4501–4513, 2021, doi: 10.1021/acs.jpcb.1c02189.
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2019 | Journal Article | LibreCat-ID: 13870
B. Atorf, C. H. Auf der Landwehr, R. Rennerich, and H.-S. Kitzerow, “Midinfrared Birefringence of Liquid Crystals, Polarimetry, and Intensity Modulators,” The Journal of Physical Chemistry B, pp. 1384–1389, 2019, doi: 10.1021/acs.jpcb.8b10039.
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2017 | Journal Article | LibreCat-ID: 39665
S. Knust, M. Wahle, and H.-S. Kitzerow, “Ferroelectric Liquid Crystals in Microcapillaries: Observation of Different Electro-optic Switching Mechanisms,” The Journal of Physical Chemistry B, vol. 121, no. 19, pp. 5110–5115, 2017, doi: 10.1021/acs.jpcb.7b00307.
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2016 | Journal Article | LibreCat-ID: 13479
A. Lücke et al., “Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles,” The Journal of Physical Chemistry B, vol. 120, pp. 5572–5580, 2016.
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2016 | Journal Article | LibreCat-ID: 39686
B. Zhang and H.-S. Kitzerow, “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, vol. 120, no. 12, pp. 3250–3256, 2016, doi: 10.1021/acs.jpcb.6b01644.
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2015 | Journal Article | LibreCat-ID: 23595
J. Kessler et al., “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, pp. 10079–10086, 2015.
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2015 | Journal Article | LibreCat-ID: 13500
A. Lücke, W. G. Schmidt, E. Rauls, F. Ortmann, and U. Gerstmann, “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT,” The Journal of Physical Chemistry B, vol. 119, pp. 6481–6491, 2015.
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2015 | Journal Article | LibreCat-ID: 34309
J. Kessler et al., “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, vol. 119, no. 31, pp. 10079–10086, 2015, doi: 10.1021/acs.jpcb.5b04185.
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2014 | Journal Article | LibreCat-ID: 41977
R. Michels, G. Goerigk, U. Vainio, J. Gummel, and K. Huber, “Coaggregation of Two Anionic Azo Dyestuffs: A Combined Static Light Scattering and Small-Angle X-ray Scattering Study,” The Journal of Physical Chemistry B, vol. 118, no. 27, pp. 7618–7629, 2014, doi: 10.1021/jp502347b.
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2013 | Journal Article | LibreCat-ID: 41980
R. Michels, Y. Hertle, T. Hellweg, and K. Huber, “Kinetic and Structural Features of a Dyestuff Coaggregation Studied by Time-Resolved Static Light Scattering,” The Journal of Physical Chemistry B, vol. 117, no. 48, pp. 15165–15175, 2013, doi: 10.1021/jp405206p.
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2013 | Journal Article | LibreCat-ID: 41981
R. Michels, T. Sinemus, J. Hoffmann, B. Brutschy, and K. Huber, “Co-Aggregation of Two Anionic Azo Dyestuffs at a Well-Defined Stoichiometry,” The Journal of Physical Chemistry B, vol. 117, no. 28, pp. 8611–8619, 2013, doi: 10.1021/jp403985m.
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2012 | Journal Article | LibreCat-ID: 15869
C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, and S. Schumacher, “Spectral Signatures of Polarons in Conjugated Co-polymers,” The Journal of Physical Chemistry B, pp. 4454–4460, 2012.
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2012 | Journal Article | LibreCat-ID: 39722
A. Lorenz et al., “Doping a Mixture of Two Smectogenic Liquid Crystals with Barium Titanate Nanoparticles,” The Journal of Physical Chemistry B, vol. 117, no. 3, pp. 937–941, 2012, doi: 10.1021/jp310624c.
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2010 | Journal Article | LibreCat-ID: 34314
J. Heller, H. Elgabarty, B. Zhuang, D. Sebastiani, and D. Hinderberger, “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, vol. 114, no. 22, pp. 7429–7438, 2010, doi: 10.1021/jp910335t.
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2007 | Journal Article | LibreCat-ID: 41280
M. Bauer and H. Bertagnolli, “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, vol. 111, no. 49, pp. 13756–13764, 2007, doi: 10.1021/jp076386i.
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2007 | Journal Article | LibreCat-ID: 42002
S. Lages, R. Schweins, and K. Huber, “Temperature-Induced Collapse of Alkaline Earth Cation−Polyacrylate Anion Complexes,” The Journal of Physical Chemistry B, vol. 111, no. 35, pp. 10431–10437, 2007, doi: 10.1021/jp068258k.
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2006 | Journal Article | LibreCat-ID: 25993
M. Tiemann, F. Marlow, F. Brieler, and M. Lindén, “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, pp. 23142–23147, 2006, doi: 10.1021/jp0638383.
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2005 | Journal Article | LibreCat-ID: 13701
F. Fuchs, W. G. Schmidt, and F. Bechstedt, “Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations,” The Journal of Physical Chemistry B, vol. 109, pp. 17649–17653, 2005.
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2005 | Journal Article | LibreCat-ID: 13707
A. Hermann, W. G. Schmidt, and F. Bechstedt, “Phenanthrenequinone Adsorbed on Si(001):  Geometries, Electronic Properties, and Optical Response,” The Journal of Physical Chemistry B, vol. 109, pp. 7928–7933, 2005.
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2004 | Journal Article | LibreCat-ID: 13718
M. Preuss, W. G. Schmidt, and F. Bechstedt, “Methyl Chloride Adsorption on Si(001)−Electronic Structure,” The Journal of Physical Chemistry B, vol. 108, pp. 7809–7813, 2004.
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