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25 Publications
2021 | Journal Article | LibreCat-ID: 23612
Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies
Y. Zhang, N.H.C. Lewis, J. Mars, G. Wan, N.J. Weadock, C.J. Takacs, M.R. Lukatskaya, H.-G. Steinrück, M.F. Toney, A. Tokmakoff, E.J. Maginn, The Journal of Physical Chemistry B 125 (2021) 4501–4513.
LibreCat
| DOI
Y. Zhang, N.H.C. Lewis, J. Mars, G. Wan, N.J. Weadock, C.J. Takacs, M.R. Lukatskaya, H.-G. Steinrück, M.F. Toney, A. Tokmakoff, E.J. Maginn, The Journal of Physical Chemistry B 125 (2021) 4501–4513.
2019 | Journal Article | LibreCat-ID: 13870
Midinfrared Birefringence of Liquid Crystals, Polarimetry, and Intensity Modulators
B. Atorf, C.H. Auf der Landwehr, R. Rennerich, H.-S. Kitzerow, The Journal of Physical Chemistry B (2019) 1384–1389.
LibreCat
| DOI
B. Atorf, C.H. Auf der Landwehr, R. Rennerich, H.-S. Kitzerow, The Journal of Physical Chemistry B (2019) 1384–1389.
2017 | Journal Article | LibreCat-ID: 39665
Ferroelectric Liquid Crystals in Microcapillaries: Observation of Different Electro-optic Switching Mechanisms
S. Knust, M. Wahle, H.-S. Kitzerow, The Journal of Physical Chemistry B 121 (2017) 5110–5115.
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| DOI
S. Knust, M. Wahle, H.-S. Kitzerow, The Journal of Physical Chemistry B 121 (2017) 5110–5115.
2016 | Journal Article | LibreCat-ID: 13479
Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles
A. Lücke, F. Ortmann, M. Panhans, S. Sanna, E. Rauls, U. Gerstmann, W.G. Schmidt, The Journal of Physical Chemistry B 120 (2016) 5572–5580.
LibreCat
| DOI
A. Lücke, F. Ortmann, M. Panhans, S. Sanna, E. Rauls, U. Gerstmann, W.G. Schmidt, The Journal of Physical Chemistry B 120 (2016) 5572–5580.
2016 | Journal Article | LibreCat-ID: 39686
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
B. Zhang, H.-S. Kitzerow, The Journal of Physical Chemistry B 120 (2016) 3250–3256.
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| DOI
B. Zhang, H.-S. Kitzerow, The Journal of Physical Chemistry B 120 (2016) 3250–3256.
2015 | Journal Article | LibreCat-ID: 23595
Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations
J. Kessler, H. Elgabarty, T. Spura, K. Karhan, P. Partovi-Azar, A.A. Hassanali, T.D. Kühne, The Journal of Physical Chemistry B (2015) 10079–10086.
LibreCat
| DOI
J. Kessler, H. Elgabarty, T. Spura, K. Karhan, P. Partovi-Azar, A.A. Hassanali, T.D. Kühne, The Journal of Physical Chemistry B (2015) 10079–10086.
2015 | Journal Article | LibreCat-ID: 13500
Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT
A. Lücke, W.G. Schmidt, E. Rauls, F. Ortmann, U. Gerstmann, The Journal of Physical Chemistry B 119 (2015) 6481–6491.
LibreCat
| DOI
A. Lücke, W.G. Schmidt, E. Rauls, F. Ortmann, U. Gerstmann, The Journal of Physical Chemistry B 119 (2015) 6481–6491.
2015 | Journal Article | LibreCat-ID: 34309
Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations
J. Kessler, H. Elgabarty, T. Spura, K. Karhan, P. Partovi-Azar, A.A. Hassanali, T. Kühne, The Journal of Physical Chemistry B 119 (2015) 10079–10086.
LibreCat
| DOI
J. Kessler, H. Elgabarty, T. Spura, K. Karhan, P. Partovi-Azar, A.A. Hassanali, T. Kühne, The Journal of Physical Chemistry B 119 (2015) 10079–10086.
2014 | Journal Article | LibreCat-ID: 41977
Coaggregation of Two Anionic Azo Dyestuffs: A Combined Static Light Scattering and Small-Angle X-ray Scattering Study
R. Michels, G. Goerigk, U. Vainio, J. Gummel, K. Huber, The Journal of Physical Chemistry B 118 (2014) 7618–7629.
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R. Michels, G. Goerigk, U. Vainio, J. Gummel, K. Huber, The Journal of Physical Chemistry B 118 (2014) 7618–7629.
2013 | Journal Article | LibreCat-ID: 41980
Kinetic and Structural Features of a Dyestuff Coaggregation Studied by Time-Resolved Static Light Scattering
R. Michels, Y. Hertle, T. Hellweg, K. Huber, The Journal of Physical Chemistry B 117 (2013) 15165–15175.
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R. Michels, Y. Hertle, T. Hellweg, K. Huber, The Journal of Physical Chemistry B 117 (2013) 15165–15175.
2013 | Journal Article | LibreCat-ID: 41981
Co-Aggregation of Two Anionic Azo Dyestuffs at a Well-Defined Stoichiometry
R. Michels, T. Sinemus, J. Hoffmann, B. Brutschy, K. Huber, The Journal of Physical Chemistry B 117 (2013) 8611–8619.
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R. Michels, T. Sinemus, J. Hoffmann, B. Brutschy, K. Huber, The Journal of Physical Chemistry B 117 (2013) 8611–8619.
2012 | Journal Article | LibreCat-ID: 15869
Spectral Signatures of Polarons in Conjugated Co-polymers
C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, S. Schumacher, The Journal of Physical Chemistry B (2012) 4454–4460.
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C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, S. Schumacher, The Journal of Physical Chemistry B (2012) 4454–4460.
2012 | Journal Article | LibreCat-ID: 39722
Doping a Mixture of Two Smectogenic Liquid Crystals with Barium Titanate Nanoparticles
A. Lorenz, N. Zimmermann, S. Kumar, D.R. Evans, G. Cook, M. Fernández Martínez, H.-S. Kitzerow, The Journal of Physical Chemistry B 117 (2012) 937–941.
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A. Lorenz, N. Zimmermann, S. Kumar, D.R. Evans, G. Cook, M. Fernández Martínez, H.-S. Kitzerow, The Journal of Physical Chemistry B 117 (2012) 937–941.
2010 | Journal Article | LibreCat-ID: 34314
Solvation of Small Disulfonate Anions in Water/Methanol Mixtures Characterized by High-Field Pulse Electron Nuclear Double Resonance and Molecular Dynamics Simulations
J. Heller, H. Elgabarty, B. Zhuang, D. Sebastiani, D. Hinderberger, The Journal of Physical Chemistry B 114 (2010) 7429–7438.
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| DOI
J. Heller, H. Elgabarty, B. Zhuang, D. Sebastiani, D. Hinderberger, The Journal of Physical Chemistry B 114 (2010) 7429–7438.
2007 | Journal Article | LibreCat-ID: 41280
The Amplitude Reduction Factor and the Cumulant Expansion Method: Crucial Factors in the Structural Analysis of Alkoxide Precursors in Solution
M. Bauer, H. Bertagnolli, The Journal of Physical Chemistry B 111 (2007) 13756–13764.
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| DOI
M. Bauer, H. Bertagnolli, The Journal of Physical Chemistry B 111 (2007) 13756–13764.
2007 | Journal Article | LibreCat-ID: 42002
Temperature-Induced Collapse of Alkaline Earth Cation−Polyacrylate Anion Complexes
S. Lages, R. Schweins, K. Huber, The Journal of Physical Chemistry B 111 (2007) 10431–10437.
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| DOI
S. Lages, R. Schweins, K. Huber, The Journal of Physical Chemistry B 111 (2007) 10431–10437.
2006 | Journal Article | LibreCat-ID: 25993
Early Stages of ZnS Growth Studied by Stopped-Flow UV Absorption Spectroscopy: Effects of Educt Concentrations on the Nanoparticle Formation
M. Tiemann, F. Marlow, F. Brieler, M. Lindén, The Journal of Physical Chemistry B (2006) 23142–23147.
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| DOI
M. Tiemann, F. Marlow, F. Brieler, M. Lindén, The Journal of Physical Chemistry B (2006) 23142–23147.
2005 | Journal Article | LibreCat-ID: 13701
Initial Stage of Si(001) Surface Oxidation from First-Principles Calculations
F. Fuchs, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 109 (2005) 17649–17653.
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| DOI
F. Fuchs, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 109 (2005) 17649–17653.
2005 | Journal Article | LibreCat-ID: 13707
Phenanthrenequinone Adsorbed on Si(001): Geometries, Electronic Properties, and Optical Response
A. Hermann, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 109 (2005) 7928–7933.
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A. Hermann, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 109 (2005) 7928–7933.
2004 | Journal Article | LibreCat-ID: 13718
Methyl Chloride Adsorption on Si(001)−Electronic Structure
M. Preuss, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 108 (2004) 7809–7813.
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| DOI
M. Preuss, W.G. Schmidt, F. Bechstedt, The Journal of Physical Chemistry B 108 (2004) 7809–7813.
2004 | Journal Article | LibreCat-ID: 22615
The Influence of Catalyst Chemical State and Morphology on Carbon Nanotube Growth
M.T. de los Arcos de Pedro, M.G. Garnier, J.W. Seo, P. Oelhafen, V. Thommen, D. Mathys, The Journal of Physical Chemistry B (2004) 7728–7734.
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M.T. de los Arcos de Pedro, M.G. Garnier, J.W. Seo, P. Oelhafen, V. Thommen, D. Mathys, The Journal of Physical Chemistry B (2004) 7728–7734.
2003 | Journal Article | LibreCat-ID: 13732
Uracil Adsorbed on Si(001): Structure and Energetics
K. Seino, W.G. Schmidt, M. Preuss, F. Bechstedt, The Journal of Physical Chemistry B 107 (2003) 5031–5035.
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K. Seino, W.G. Schmidt, M. Preuss, F. Bechstedt, The Journal of Physical Chemistry B 107 (2003) 5031–5035.
2003 | Journal Article | LibreCat-ID: 35360
Deuterium NMR Study of Slow Relaxation Dynamics in a Polymer-like Micelles System after Flow-Induced Orientation
R. Angelico, D. Burgemeister, A. Ceglie, U. Olsson, G. Palazzo, C. Schmidt, The Journal of Physical Chemistry B 107 (2003) 10325–10328.
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| DOI
R. Angelico, D. Burgemeister, A. Ceglie, U. Olsson, G. Palazzo, C. Schmidt, The Journal of Physical Chemistry B 107 (2003) 10325–10328.
2000 | Journal Article | LibreCat-ID: 26004
NMR Characterization of Mesostructured Aluminophosphates
M. Schulz, M. Tiemann, M. Fröba, C. Jäger, The Journal of Physical Chemistry B (2000) 10473–10481.
LibreCat
| DOI
M. Schulz, M. Tiemann, M. Fröba, C. Jäger, The Journal of Physical Chemistry B (2000) 10473–10481.
1998 | Journal Article | LibreCat-ID: 35373
Shear Orientation of Lyotropic Hexagonal Phases
G. Schmidt, S. Müller, P. Lindner, C. Schmidt, W. Richtering, The Journal of Physical Chemistry B 102 (1998) 507–513.
LibreCat
| DOI
G. Schmidt, S. Müller, P. Lindner, C. Schmidt, W. Richtering, The Journal of Physical Chemistry B 102 (1998) 507–513.