@article{65629,
  author       = {{Iannuzzi, Marcella and Wilhelm, Jan and Stein, Frederick and Bussy, Augustin and Elgabarty, Hossam and Golze, Dorothea and Hehn, Anna-Sophia and Graml, Maximilian and Marek, Stepan and Gökmen, Beliz Sertcan and Schran, Christoph and Forbert, Harald and Khaliullin, Rustam Z. and Kozhevnikov, Anton and Taillefumier, Mathieu and Meli, Rocco and Rybkin, Vladimir V. and Brehm, Martin and Schade, Robert and Schütt, Ole and Pototschnig, Johann V. and Mirhosseini, Hossein and Knüpfer, Andreas and Marx, Dominik and Krack, Matthias and Hutter, Jürg and Kühne, Thomas D.}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  number       = {{4}},
  pages        = {{1237--1310}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{The CP2K Program Package Made Simple}}},
  doi          = {{10.1021/acs.jpcb.5c05851}},
  volume       = {{130}},
  year         = {{2026}},
}

@article{62180,
  author       = {{Koch, Leon and Rajput, Satyendra and Richter, Antonio and König, Benedikt and Nayar, Divya and Ebbinghaus, Simon and Huber, Klaus}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  number       = {{25}},
  pages        = {{6115--6126}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Self-Assembly of Pseudo Isocyanine Chloride in the Presence of Attractive Polyethylene Glycol Crowders}}},
  doi          = {{10.1021/acs.jpcb.4c06843}},
  volume       = {{129}},
  year         = {{2025}},
}

@article{62179,
  author       = {{Koch, Leon and Baier, Dominik and Rajput, Satyendra and König, Benedikt and Tiemann, Michael and Ebbinghaus, Simon and Nayar, Divya and Huber, Klaus}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  number       = {{40}},
  pages        = {{10213--10228}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Disaggregation at High Volume Exclusion: An “Overcrowding” Effect}}},
  doi          = {{10.1021/acs.jpcb.5c01245}},
  volume       = {{129}},
  year         = {{2025}},
}

@article{23612,
  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 Maginn, Edward J.}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  pages        = {{4501--4513}},
  title        = {{{Water-in-Salt LiTFSI Aqueous Electrolytes. 1. Liquid Structure from Combined Molecular Dynamics Simulation and Experimental Studies}}},
  doi          = {{10.1021/acs.jpcb.1c02189}},
  volume       = {{125}},
  year         = {{2021}},
}

@article{13870,
  author       = {{Atorf, Bernhard and Auf der Landwehr, Chris Holm and Rennerich, Roman and Kitzerow, Heinz-Siegfried}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  pages        = {{1384--1389}},
  title        = {{{Midinfrared Birefringence of Liquid Crystals, Polarimetry, and Intensity Modulators}}},
  doi          = {{10.1021/acs.jpcb.8b10039}},
  year         = {{2019}},
}

@article{39665,
  author       = {{Knust, Steffen and Wahle, Markus and Kitzerow, Heinz-Siegfried}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry}},
  number       = {{19}},
  pages        = {{5110--5115}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Ferroelectric Liquid Crystals in Microcapillaries: Observation of Different Electro-optic Switching Mechanisms}}},
  doi          = {{10.1021/acs.jpcb.7b00307}},
  volume       = {{121}},
  year         = {{2017}},
}

@article{39686,
  author       = {{Zhang, Bingru and Kitzerow, Heinz-Siegfried}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry}},
  number       = {{12}},
  pages        = {{3250--3256}},
  publisher    = {{American Chemical Society (ACS)}},
  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}}},
  doi          = {{10.1021/acs.jpcb.6b01644}},
  volume       = {{120}},
  year         = {{2016}},
}

@article{13479,
  author       = {{Lücke, Andreas and Ortmann, Frank and Panhans, Michel and Sanna, Simone and Rauls, Eva and Gerstmann, Uwe and Schmidt, Wolf Gero}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  pages        = {{5572--5580}},
  title        = {{{Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles}}},
  doi          = {{10.1021/acs.jpcb.6b03598}},
  volume       = {{120}},
  year         = {{2016}},
}

@article{23595,
  author       = {{Kessler, Jan and Elgabarty, Hossam and Spura, Thomas and Karhan, Kristof and Partovi-Azar, Pouya and Hassanali, Ali A. and Kühne, Thomas D.}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  pages        = {{10079--10086}},
  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}},
  year         = {{2015}},
}

@article{34309,
  author       = {{Kessler, Jan and Elgabarty, Hossam and Spura, Thomas and Karhan, Kristof and Partovi-Azar, Pouya and Hassanali, Ali A. and Kühne, Thomas}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry}},
  number       = {{31}},
  pages        = {{10079--10086}},
  publisher    = {{American Chemical Society (ACS)}},
  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}},
  volume       = {{119}},
  year         = {{2015}},
}

@article{13500,
  author       = {{Lücke, A. and Schmidt, Wolf Gero and Rauls, E. and Ortmann, F. and Gerstmann, Uwe}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  pages        = {{6481--6491}},
  title        = {{{Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT}}},
  doi          = {{10.1021/acs.jpcb.5b03615}},
  volume       = {{119}},
  year         = {{2015}},
}

@article{41977,
  author       = {{Michels, Rolf and Goerigk, Günter and Vainio, Ulla and Gummel, Jérémie and Huber, Klaus}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry}},
  number       = {{27}},
  pages        = {{7618--7629}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Coaggregation of Two Anionic Azo Dyestuffs: A Combined Static Light Scattering and Small-Angle X-ray Scattering Study}}},
  doi          = {{10.1021/jp502347b}},
  volume       = {{118}},
  year         = {{2014}},
}

@article{41980,
  author       = {{Michels, Rolf and Hertle, Yvonne and Hellweg, Thomas and Huber, Klaus}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry}},
  number       = {{48}},
  pages        = {{15165--15175}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Kinetic and Structural Features of a Dyestuff Coaggregation Studied by Time-Resolved Static Light Scattering}}},
  doi          = {{10.1021/jp405206p}},
  volume       = {{117}},
  year         = {{2013}},
}

@article{41981,
  author       = {{Michels, Rolf and Sinemus, Thomas and Hoffmann, Jan and Brutschy, Bernhard and Huber, Klaus}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry}},
  number       = {{28}},
  pages        = {{8611--8619}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Co-Aggregation of Two Anionic Azo Dyestuffs at a Well-Defined Stoichiometry}}},
  doi          = {{10.1021/jp403985m}},
  volume       = {{117}},
  year         = {{2013}},
}

@article{39722,
  author       = {{Lorenz, Alexander and Zimmermann, Natalie and Kumar, Satyendra and Evans, Dean R. and Cook, Gary and Fernández Martínez, Manuel and Kitzerow, Heinz-Siegfried}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry}},
  number       = {{3}},
  pages        = {{937--941}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Doping a Mixture of Two Smectogenic Liquid Crystals with Barium Titanate Nanoparticles}}},
  doi          = {{10.1021/jp310624c}},
  volume       = {{117}},
  year         = {{2012}},
}

@article{15869,
  author       = {{Wiebeler, Christian and Tautz, Raphael and Feldmann, Jochen and von Hauff, Elizabeth and Da Como, Enrico and Schumacher, Stefan}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  pages        = {{4454--4460}},
  title        = {{{Spectral Signatures of Polarons in Conjugated Co-polymers}}},
  doi          = {{10.1021/jp3084869}},
  year         = {{2012}},
}

@article{34314,
  author       = {{Heller, Jeannine and Elgabarty, Hossam and Zhuang, Bilin and Sebastiani, Daniel and Hinderberger, Dariush}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry}},
  number       = {{22}},
  pages        = {{7429--7438}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Solvation of Small Disulfonate Anions in Water/Methanol Mixtures Characterized by High-Field Pulse Electron Nuclear Double Resonance and Molecular Dynamics Simulations}}},
  doi          = {{10.1021/jp910335t}},
  volume       = {{114}},
  year         = {{2010}},
}

@article{41280,
  author       = {{Bauer, Matthias and Bertagnolli, Helmut}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry}},
  number       = {{49}},
  pages        = {{13756--13764}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{The Amplitude Reduction Factor and the Cumulant Expansion Method:  Crucial Factors in the Structural Analysis of Alkoxide Precursors in Solution}}},
  doi          = {{10.1021/jp076386i}},
  volume       = {{111}},
  year         = {{2007}},
}

@article{42002,
  author       = {{Lages, Sebastian and Schweins, Ralf and Huber, Klaus}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  keywords     = {{Materials Chemistry, Surfaces, Coatings and Films, Physical and Theoretical Chemistry}},
  number       = {{35}},
  pages        = {{10431--10437}},
  publisher    = {{American Chemical Society (ACS)}},
  title        = {{{Temperature-Induced Collapse of Alkaline Earth Cation−Polyacrylate Anion Complexes}}},
  doi          = {{10.1021/jp068258k}},
  volume       = {{111}},
  year         = {{2007}},
}

@article{25993,
  abstract     = {{The growth of ZnS nanoparticles by precipitation from supersaturated aqueous solution is studied by stopped-flow UV absorption spectroscopy. The average size, size distribution, and concentration of the particles are monitored within the sub-second time regime with a resolution of 1.28 ms. Particle growth at these early stages is governed by pronounced ripening. The UV absorption data strongly suggest that growth occurs by preferential adsorption of HS- anions relative to Zn2+ or ZnOH+ cations. Correspondingly, the initial sulfide concentration has a much more pronounced influence on the growth kinetics than the initial zinc concentration. These findings are verified by ζ-potential measurements which confirm that the particle surfaces are negatively charged under near-neutral pH conditions.}},
  author       = {{Tiemann, Michael and Marlow, Frank and Brieler, Felix and Lindén, Mika}},
  issn         = {{1520-6106}},
  journal      = {{The Journal of Physical Chemistry B}},
  pages        = {{23142--23147}},
  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}},
  year         = {{2006}},
}