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25 Publications
2021 | Journal Article | LibreCat-ID: 23612
Zhang Y, Lewis NHC, Mars J, 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. 2021;125:4501-4513. doi:10.1021/acs.jpcb.1c02189
LibreCat
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2019 | Journal Article | LibreCat-ID: 13870
Atorf B, Auf der Landwehr CH, Rennerich R, Kitzerow H-S. Midinfrared Birefringence of Liquid Crystals, Polarimetry, and Intensity Modulators. The Journal of Physical Chemistry B. Published online 2019:1384-1389. doi:10.1021/acs.jpcb.8b10039
LibreCat
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2017 | Journal Article | LibreCat-ID: 39665
Knust S, Wahle M, Kitzerow H-S. Ferroelectric Liquid Crystals in Microcapillaries: Observation of Different Electro-optic Switching Mechanisms. The Journal of Physical Chemistry B. 2017;121(19):5110-5115. doi:10.1021/acs.jpcb.7b00307
LibreCat
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2016 | Journal Article | LibreCat-ID: 13479
Lücke A, Ortmann F, Panhans M, et al. Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles. The Journal of Physical Chemistry B. 2016;120:5572-5580. doi:10.1021/acs.jpcb.6b03598
LibreCat
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2016 | Journal Article | LibreCat-ID: 39686
Zhang B, Kitzerow H-S. 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. 2016;120(12):3250-3256. doi:10.1021/acs.jpcb.6b01644
LibreCat
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2015 | Journal Article | LibreCat-ID: 23595
Kessler J, Elgabarty H, Spura T, 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. 2015:10079-10086. doi:10.1021/acs.jpcb.5b04185
LibreCat
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2015 | Journal Article | LibreCat-ID: 13500
Lücke A, Schmidt WG, Rauls E, Ortmann F, Gerstmann U. Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT. The Journal of Physical Chemistry B. 2015;119:6481-6491. doi:10.1021/acs.jpcb.5b03615
LibreCat
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2015 | Journal Article | LibreCat-ID: 34309
Kessler J, Elgabarty H, Spura T, 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. 2015;119(31):10079-10086. doi: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. Coaggregation of Two Anionic Azo Dyestuffs: A Combined Static Light Scattering and Small-Angle X-ray Scattering Study. The Journal of Physical Chemistry B. 2014;118(27):7618-7629. doi:10.1021/jp502347b
LibreCat
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2013 | Journal Article | LibreCat-ID: 41980
Michels R, Hertle Y, Hellweg T, Huber K. Kinetic and Structural Features of a Dyestuff Coaggregation Studied by Time-Resolved Static Light Scattering. The Journal of Physical Chemistry B. 2013;117(48):15165-15175. doi:10.1021/jp405206p
LibreCat
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2013 | Journal Article | LibreCat-ID: 41981
Michels R, Sinemus T, Hoffmann J, Brutschy B, Huber K. Co-Aggregation of Two Anionic Azo Dyestuffs at a Well-Defined Stoichiometry. The Journal of Physical Chemistry B. 2013;117(28):8611-8619. doi:10.1021/jp403985m
LibreCat
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2012 | Journal Article | LibreCat-ID: 15869
Wiebeler C, Tautz R, Feldmann J, von Hauff E, Da Como E, Schumacher S. Spectral Signatures of Polarons in Conjugated Co-polymers. The Journal of Physical Chemistry B. 2012:4454-4460. doi:10.1021/jp3084869
LibreCat
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2012 | Journal Article | LibreCat-ID: 39722
Lorenz A, Zimmermann N, Kumar S, et al. Doping a Mixture of Two Smectogenic Liquid Crystals with Barium Titanate Nanoparticles. The Journal of Physical Chemistry B. 2012;117(3):937-941. doi:10.1021/jp310624c
LibreCat
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2010 | Journal Article | LibreCat-ID: 34314
Heller J, Elgabarty H, Zhuang B, Sebastiani D, Hinderberger D. 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. 2010;114(22):7429-7438. doi:10.1021/jp910335t
LibreCat
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2007 | Journal Article | LibreCat-ID: 41280
Bauer M, Bertagnolli H. 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. 2007;111(49):13756-13764. doi:10.1021/jp076386i
LibreCat
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2007 | Journal Article | LibreCat-ID: 42002
Lages S, Schweins R, Huber K. Temperature-Induced Collapse of Alkaline Earth Cation−Polyacrylate Anion Complexes. The Journal of Physical Chemistry B. 2007;111(35):10431-10437. doi:10.1021/jp068258k
LibreCat
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2006 | Journal Article | LibreCat-ID: 25993
Tiemann M, Marlow F, Brieler F, Lindén M. 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. Published online 2006:23142-23147. doi:10.1021/jp0638383
LibreCat
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2005 | Journal Article | LibreCat-ID: 13701
Fuchs F, Schmidt WG, Bechstedt F. Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations. The Journal of Physical Chemistry B. 2005;109:17649-17653. doi:10.1021/jp0501087
LibreCat
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2005 | Journal Article | LibreCat-ID: 13707
Hermann A, Schmidt WG, Bechstedt F. Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response. The Journal of Physical Chemistry B. 2005;109:7928-7933. doi:10.1021/jp0500182
LibreCat
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2004 | Journal Article | LibreCat-ID: 13718
Preuss M, Schmidt WG, Bechstedt F. Methyl Chloride Adsorption on Si(001)−Electronic Structure. The Journal of Physical Chemistry B. 2004;108:7809-7813. doi:10.1021/jp049661z
LibreCat
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2004 | Journal Article | LibreCat-ID: 22615
de los Arcos de Pedro MT, Garnier MG, Seo JW, Oelhafen P, Thommen V, Mathys D. The Influence of Catalyst Chemical State and Morphology on Carbon Nanotube Growth. The Journal of Physical Chemistry B. Published online 2004:7728-7734. doi:10.1021/jp049495v
LibreCat
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2003 | Journal Article | LibreCat-ID: 13732
Seino K, Schmidt WG, Preuss M, Bechstedt F. Uracil Adsorbed on Si(001): Structure and Energetics. The Journal of Physical Chemistry B. 2003;107:5031-5035. doi:10.1021/jp0342531
LibreCat
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2003 | Journal Article | LibreCat-ID: 35360
Angelico R, Burgemeister D, Ceglie A, Olsson U, Palazzo G, Schmidt C. Deuterium NMR Study of Slow Relaxation Dynamics in a Polymer-like Micelles System after Flow-Induced Orientation. The Journal of Physical Chemistry B. 2003;107(38):10325-10328. doi:10.1021/jp0356259
LibreCat
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2000 | Journal Article | LibreCat-ID: 26004
Schulz M, Tiemann M, Fröba M, Jäger C. NMR Characterization of Mesostructured Aluminophosphates. The Journal of Physical Chemistry B. Published online 2000:10473-10481. doi:10.1021/jp000337n
LibreCat
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1998 | Journal Article | LibreCat-ID: 35373
Schmidt G, Müller S, Lindner P, Schmidt C, Richtering W. Shear Orientation of Lyotropic Hexagonal Phases. The Journal of Physical Chemistry B. 1998;102(3):507-513. doi:10.1021/jp9725745
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