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25 Publications
2021 | Journal Article | LibreCat-ID: 23612
Zhang, Yong, Nicholas H. C. Lewis, Julian Mars, Gang Wan, Nicholas J. Weadock, Christopher J. Takacs, Maria R. Lukatskaya, 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 125 (2021): 4501–13. https://doi.org/10.1021/acs.jpcb.1c02189.
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2019 | Journal Article | LibreCat-ID: 13870
Atorf, Bernhard, Chris Holm Auf der Landwehr, Roman Rennerich, and Heinz-Siegfried Kitzerow. “Midinfrared Birefringence of Liquid Crystals, Polarimetry, and Intensity Modulators.” The Journal of Physical Chemistry B, 2019, 1384–89. https://doi.org/10.1021/acs.jpcb.8b10039.
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2017 | Journal Article | LibreCat-ID: 39665
Knust, Steffen, Markus Wahle, and Heinz-Siegfried Kitzerow. “Ferroelectric Liquid Crystals in Microcapillaries: Observation of Different Electro-Optic Switching Mechanisms.” The Journal of Physical Chemistry B 121, no. 19 (2017): 5110–15. https://doi.org/10.1021/acs.jpcb.7b00307.
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2016 | Journal Article | LibreCat-ID: 13479
Lücke, Andreas, Frank Ortmann, Michel Panhans, Simone Sanna, Eva Rauls, Uwe Gerstmann, and Wolf Gero Schmidt. “Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles.” The Journal of Physical Chemistry B 120 (2016): 5572–80. https://doi.org/10.1021/acs.jpcb.6b03598.
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2016 | Journal Article | LibreCat-ID: 39686
Zhang, Bingru, and Heinz-Siegfried 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 120, no. 12 (2016): 3250–56. https://doi.org/10.1021/acs.jpcb.6b01644.
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2015 | Journal Article | LibreCat-ID: 23595
Kessler, Jan, Hossam Elgabarty, Thomas Spura, Kristof Karhan, Pouya Partovi-Azar, Ali A. Hassanali, and Thomas D. Kühne. “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, 2015, 10079–86. https://doi.org/10.1021/acs.jpcb.5b04185.
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2015 | Journal Article | LibreCat-ID: 13500
Lücke, A., Wolf Gero Schmidt, E. Rauls, F. Ortmann, and Uwe Gerstmann. “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT.” The Journal of Physical Chemistry B 119 (2015): 6481–91. https://doi.org/10.1021/acs.jpcb.5b03615.
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2015 | Journal Article | LibreCat-ID: 34309
Kessler, Jan, Hossam Elgabarty, Thomas Spura, Kristof Karhan, Pouya Partovi-Azar, Ali A. Hassanali, and Thomas Kühne. “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, no. 31 (2015): 10079–86. https://doi.org/10.1021/acs.jpcb.5b04185.
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2014 | Journal Article | LibreCat-ID: 41977
Michels, Rolf, Günter Goerigk, Ulla Vainio, Jérémie Gummel, and Klaus 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 118, no. 27 (2014): 7618–29. https://doi.org/10.1021/jp502347b.
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2013 | Journal Article | LibreCat-ID: 41980
Michels, Rolf, Yvonne Hertle, Thomas Hellweg, and Klaus Huber. “Kinetic and Structural Features of a Dyestuff Coaggregation Studied by Time-Resolved Static Light Scattering.” The Journal of Physical Chemistry B 117, no. 48 (2013): 15165–75. https://doi.org/10.1021/jp405206p.
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2013 | Journal Article | LibreCat-ID: 41981
Michels, Rolf, Thomas Sinemus, Jan Hoffmann, Bernhard Brutschy, and Klaus Huber. “Co-Aggregation of Two Anionic Azo Dyestuffs at a Well-Defined Stoichiometry.” The Journal of Physical Chemistry B 117, no. 28 (2013): 8611–19. https://doi.org/10.1021/jp403985m.
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2012 | Journal Article | LibreCat-ID: 15869
Wiebeler, Christian, Raphael Tautz, Jochen Feldmann, Elizabeth von Hauff, Enrico Da Como, and Stefan Schumacher. “Spectral Signatures of Polarons in Conjugated Co-Polymers.” The Journal of Physical Chemistry B, 2012, 4454–60. https://doi.org/10.1021/jp3084869.
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2012 | Journal Article | LibreCat-ID: 39722
Lorenz, Alexander, Natalie Zimmermann, Satyendra Kumar, Dean R. Evans, Gary Cook, Manuel Fernández Martínez, and Heinz-Siegfried Kitzerow. “Doping a Mixture of Two Smectogenic Liquid Crystals with Barium Titanate Nanoparticles.” The Journal of Physical Chemistry B 117, no. 3 (2012): 937–41. https://doi.org/10.1021/jp310624c.
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2010 | Journal Article | LibreCat-ID: 34314
Heller, Jeannine, Hossam Elgabarty, Bilin Zhuang, Daniel Sebastiani, and Dariush 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 114, no. 22 (2010): 7429–38. https://doi.org/10.1021/jp910335t.
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2007 | Journal Article | LibreCat-ID: 41280
Bauer, Matthias, and Helmut 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 111, no. 49 (2007): 13756–64. https://doi.org/10.1021/jp076386i.
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2007 | Journal Article | LibreCat-ID: 42002
Lages, Sebastian, Ralf Schweins, and Klaus Huber. “Temperature-Induced Collapse of Alkaline Earth Cation−Polyacrylate Anion Complexes.” The Journal of Physical Chemistry B 111, no. 35 (2007): 10431–37. https://doi.org/10.1021/jp068258k.
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2006 | Journal Article | LibreCat-ID: 25993
Tiemann, Michael, Frank Marlow, Felix Brieler, and Mika 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, 2006, 23142–47. https://doi.org/10.1021/jp0638383.
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2005 | Journal Article | LibreCat-ID: 13701
Fuchs, F., Wolf Gero Schmidt, and F. Bechstedt. “Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations.” The Journal of Physical Chemistry B 109 (2005): 17649–53. https://doi.org/10.1021/jp0501087.
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2005 | Journal Article | LibreCat-ID: 13707
Hermann, Andreas, Wolf Gero Schmidt, and Friedhelm Bechstedt. “Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response.” The Journal of Physical Chemistry B 109 (2005): 7928–33. https://doi.org/10.1021/jp0500182.
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2004 | Journal Article | LibreCat-ID: 13718
Preuss, M., Wolf Gero Schmidt, and F. Bechstedt. “Methyl Chloride Adsorption on Si(001)−Electronic Structure.” The Journal of Physical Chemistry B 108 (2004): 7809–13. https://doi.org/10.1021/jp049661z.
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