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.

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.

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.

Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase HT 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.

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.

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.

Influence of Structural Defects and Oxidation onto Hole Conductivity in HT
A. Lücke, W.G. Schmidt, E. Rauls, F. Ortmann, U. Gerstmann, The Journal of Physical Chemistry B 119 (2015) 6481–6491.

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.

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.

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.

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.

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.

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.

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.

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.

Temperature-Induced Collapse of Alkaline Earth CationPolyacrylate Anion Complexes
S. Lages, R. Schweins, K. Huber, The Journal of Physical Chemistry B 111 (2007) 10431–10437.

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.

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.

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.

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.