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13 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
 

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. Kitzerow, The Journal of Physical Chemistry B (2019) 1384–1389.
LibreCat | DOI
 

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.
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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.
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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.
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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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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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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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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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2004 | Journal Article | LibreCat-ID: 22615
The Influence of Catalyst Chemical State and Morphology on Carbon Nanotube Growth
T. de los Arcos, M.G. Garnier, J.W. Seo, P. Oelhafen, V. Thommen, D. Mathys, The Journal of Physical Chemistry B (2004) 7728–7734.
LibreCat | DOI
 

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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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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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
 

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