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25 Publications
2021 | Journal Article | LibreCat-ID: 23612
@article{Zhang_Lewis_Mars_Wan_Weadock_Takacs_Lukatskaya_Steinrück_Toney_Tokmakoff_et al._2021, title={Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies}, volume={125}, DOI={10.1021/acs.jpcb.1c02189}, journal={The Journal of Physical Chemistry B}, author={Zhang, Yong and Lewis, Nicholas H. C. and Mars, Julian and Wan, Gang and Weadock, Nicholas J. and Takacs, Christopher J. and Lukatskaya, Maria R. and Steinrück, Hans-Georg and Toney, Michael F. and Tokmakoff, Andrei and et al.}, year={2021}, pages={4501–4513} }
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2019 | Journal Article | LibreCat-ID: 13870
@article{Atorf_Auf der Landwehr_Rennerich_Kitzerow_2019, title={Midinfrared Birefringence of Liquid Crystals, Polarimetry, and Intensity Modulators}, DOI={10.1021/acs.jpcb.8b10039}, journal={The Journal of Physical Chemistry B}, author={Atorf, Bernhard and Auf der Landwehr, Chris Holm and Rennerich, Roman and Kitzerow, Heinz-Siegfried}, year={2019}, pages={1384–1389} }
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2017 | Journal Article | LibreCat-ID: 39665
@article{Knust_Wahle_Kitzerow_2017, title={Ferroelectric Liquid Crystals in Microcapillaries: Observation of Different Electro-optic Switching Mechanisms}, volume={121}, DOI={10.1021/acs.jpcb.7b00307}, number={19}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Knust, Steffen and Wahle, Markus and Kitzerow, Heinz-Siegfried}, year={2017}, pages={5110–5115} }
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2016 | Journal Article | LibreCat-ID: 13479
@article{Lücke_Ortmann_Panhans_Sanna_Rauls_Gerstmann_Schmidt_2016, title={Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles}, volume={120}, DOI={10.1021/acs.jpcb.6b03598}, journal={The Journal of Physical Chemistry B}, author={Lücke, Andreas and Ortmann, Frank and Panhans, Michel and Sanna, Simone and Rauls, Eva and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2016}, pages={5572–5580} }
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2016 | Journal Article | LibreCat-ID: 39686
@article{Zhang_Kitzerow_2016, title={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}, volume={120}, DOI={10.1021/acs.jpcb.6b01644}, number={12}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Zhang, Bingru and Kitzerow, Heinz-Siegfried}, year={2016}, pages={3250–3256} }
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2015 | Journal Article | LibreCat-ID: 23595
@article{Kessler_Elgabarty_Spura_Karhan_Partovi-Azar_Hassanali_Kühne_2015, title={Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations}, DOI={10.1021/acs.jpcb.5b04185}, journal={The Journal of Physical Chemistry B}, author={Kessler, Jan and Elgabarty, Hossam and Spura, Thomas and Karhan, Kristof and Partovi-Azar, Pouya and Hassanali, Ali A. and Kühne, Thomas D.}, year={2015}, pages={10079–10086} }
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2015 | Journal Article | LibreCat-ID: 13500
@article{Lücke_Schmidt_Rauls_Ortmann_Gerstmann_2015, title={Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT}, volume={119}, DOI={10.1021/acs.jpcb.5b03615}, journal={The Journal of Physical Chemistry B}, author={Lücke, A. and Schmidt, Wolf Gero and Rauls, E. and Ortmann, F. and Gerstmann, Uwe}, year={2015}, pages={6481–6491} }
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2015 | Journal Article | LibreCat-ID: 34309
@article{Kessler_Elgabarty_Spura_Karhan_Partovi-Azar_Hassanali_Kühne_2015, title={Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations}, volume={119}, DOI={10.1021/acs.jpcb.5b04185}, number={31}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Kessler, Jan and Elgabarty, Hossam and Spura, Thomas and Karhan, Kristof and Partovi-Azar, Pouya and Hassanali, Ali A. and Kühne, Thomas}, year={2015}, pages={10079–10086} }
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2014 | Journal Article | LibreCat-ID: 41977
@article{Michels_Goerigk_Vainio_Gummel_Huber_2014, title={Coaggregation of Two Anionic Azo Dyestuffs: A Combined Static Light Scattering and Small-Angle X-ray Scattering Study}, volume={118}, DOI={10.1021/jp502347b}, number={27}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Michels, Rolf and Goerigk, Günter and Vainio, Ulla and Gummel, Jérémie and Huber, Klaus}, year={2014}, pages={7618–7629} }
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2013 | Journal Article | LibreCat-ID: 41980
@article{Michels_Hertle_Hellweg_Huber_2013, title={Kinetic and Structural Features of a Dyestuff Coaggregation Studied by Time-Resolved Static Light Scattering}, volume={117}, DOI={10.1021/jp405206p}, number={48}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Michels, Rolf and Hertle, Yvonne and Hellweg, Thomas and Huber, Klaus}, year={2013}, pages={15165–15175} }
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2013 | Journal Article | LibreCat-ID: 41981
@article{Michels_Sinemus_Hoffmann_Brutschy_Huber_2013, title={Co-Aggregation of Two Anionic Azo Dyestuffs at a Well-Defined Stoichiometry}, volume={117}, DOI={10.1021/jp403985m}, number={28}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Michels, Rolf and Sinemus, Thomas and Hoffmann, Jan and Brutschy, Bernhard and Huber, Klaus}, year={2013}, pages={8611–8619} }
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2012 | Journal Article | LibreCat-ID: 15869
@article{Wiebeler_Tautz_Feldmann_von Hauff_Da Como_Schumacher_2012, title={Spectral Signatures of Polarons in Conjugated Co-polymers}, DOI={10.1021/jp3084869}, journal={The Journal of Physical Chemistry B}, author={Wiebeler, Christian and Tautz, Raphael and Feldmann, Jochen and von Hauff, Elizabeth and Da Como, Enrico and Schumacher, Stefan}, year={2012}, pages={4454–4460} }
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2012 | Journal Article | LibreCat-ID: 39722
@article{Lorenz_Zimmermann_Kumar_Evans_Cook_Fernández Martínez_Kitzerow_2012, title={Doping a Mixture of Two Smectogenic Liquid Crystals with Barium Titanate Nanoparticles}, volume={117}, DOI={10.1021/jp310624c}, number={3}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Lorenz, Alexander and Zimmermann, Natalie and Kumar, Satyendra and Evans, Dean R. and Cook, Gary and Fernández Martínez, Manuel and Kitzerow, Heinz-Siegfried}, year={2012}, pages={937–941} }
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2010 | Journal Article | LibreCat-ID: 34314
@article{Heller_Elgabarty_Zhuang_Sebastiani_Hinderberger_2010, title={Solvation of Small Disulfonate Anions in Water/Methanol Mixtures Characterized by High-Field Pulse Electron Nuclear Double Resonance and Molecular Dynamics Simulations}, volume={114}, DOI={10.1021/jp910335t}, number={22}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Heller, Jeannine and Elgabarty, Hossam and Zhuang, Bilin and Sebastiani, Daniel and Hinderberger, Dariush}, year={2010}, pages={7429–7438} }
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2007 | Journal Article | LibreCat-ID: 41280
@article{Bauer_Bertagnolli_2007, title={The Amplitude Reduction Factor and the Cumulant Expansion Method: Crucial Factors in the Structural Analysis of Alkoxide Precursors in Solution}, volume={111}, DOI={10.1021/jp076386i}, number={49}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Bauer, Matthias and Bertagnolli, Helmut}, year={2007}, pages={13756–13764} }
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2007 | Journal Article | LibreCat-ID: 42002
@article{Lages_Schweins_Huber_2007, title={Temperature-Induced Collapse of Alkaline Earth Cation−Polyacrylate Anion Complexes}, volume={111}, DOI={10.1021/jp068258k}, number={35}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={Lages, Sebastian and Schweins, Ralf and Huber, Klaus}, year={2007}, pages={10431–10437} }
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2006 | Journal Article | LibreCat-ID: 25993
@article{Tiemann_Marlow_Brieler_Lindén_2006, title={Early Stages of ZnS Growth Studied by Stopped-Flow UV Absorption Spectroscopy: Effects of Educt Concentrations on the Nanoparticle Formation}, DOI={10.1021/jp0638383}, journal={The Journal of Physical Chemistry B}, author={Tiemann, Michael and Marlow, Frank and Brieler, Felix and Lindén, Mika}, year={2006}, pages={23142–23147} }
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2005 | Journal Article | LibreCat-ID: 13701
@article{Fuchs_Schmidt_Bechstedt_2005, title={Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations}, volume={109}, DOI={10.1021/jp0501087}, journal={The Journal of Physical Chemistry B}, author={Fuchs, F. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2005}, pages={17649–17653} }
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2005 | Journal Article | LibreCat-ID: 13707
@article{Hermann_Schmidt_Bechstedt_2005, title={Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response}, volume={109}, DOI={10.1021/jp0500182}, journal={The Journal of Physical Chemistry B}, author={Hermann, Andreas and Schmidt, Wolf Gero and Bechstedt, Friedhelm}, year={2005}, pages={7928–7933} }
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2004 | Journal Article | LibreCat-ID: 13718
@article{Preuss_Schmidt_Bechstedt_2004, title={Methyl Chloride Adsorption on Si(001)−Electronic Structure}, volume={108}, DOI={10.1021/jp049661z}, journal={The Journal of Physical Chemistry B}, author={Preuss, M. and Schmidt, Wolf Gero and Bechstedt, F.}, year={2004}, pages={7809–7813} }
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