-
Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design2023 Physical Chemistry Chemical Physics article Computer Science Computational Drug Discovery Methods Open access
Ke Zuo, Agata Kranjc, Riccardo Capelli, Giulia Rossetti, Rachel Nechushtai, Paolo Carloni
16citations -
Best practices of modeling complex materials in electrocatalysis, exemplified by oxygen evolution reaction on pentlandites2024 Physical Chemistry Chemical Physics article Energy Electrocatalysts for Energy Conversion Open access
Maksim N. Sokolov, Katharina Doblhoff-Dier, Kai Steffen Exner
16citations -
VUV photoionization dynamics of the C 60 buckminsterfullerene: 2D-matrix photoelectron spectroscopy in an astrophysical context2020 Physical Chemistry Chemical Physics article Chemistry Fullerene Chemistry and Applications Open access
Helgi Rafn Hróðmarsson, Gustavo A. García, H. Linnartz, Laurent Nahon
15citations -
Laser induced oxidation Raman spectroscopy as an analysis tool for iridium-based oxygen evolution catalysts2025 Physical Chemistry Chemical Physics article Energy Electrocatalysts for Energy Conversion Open access
Stefan Speer, Sven Jovanovic, Alexandre Merlen, Francesco Bàrtoli, Niklas L. Wolf, André Karl, +2 more
14citations -
An integrated approach towards extracting structural characteristics of chlorosomes from a bchQ mutant of Chlorobaculum tepidum2024 Physical Chemistry Chemical Physics article Biochemistry, Genetics and Molecular Biology Photosynthetic Processes and Mechanisms Open access
Lolita Dsouza, Xinmeng Li, Vesna Erić, Thomas L. C. Jansen, Alfred R. Holzwarth, Francesco Buda, +5 more
14citations -
Unimolecular decomposition of methyl ketene and its dimer in the gas phase: theory and experiment2020 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies
Imene Derbali, Helgi Rafn Hróðmarsson, Martin Schwell, Y. Bénilan, Lionel Poisson, M. Hochlaf, +3 more
14citations -
Surface potentials of acceptor- and donor-doped CeO 2 thin films and their relation to oxygen surface exchange2021 Physical Chemistry Chemical Physics article Materials Science Catalytic Processes in Materials Science
Hans F. Wardenga, Katharina N. S. Schuldt, Stephan P. Waldow, Roger A. De Souza, Andreas Klein
13citations -
Determination of the semiexperimental equilibrium structure of 2-acetylthiophene in the presence of methyl internal rotation and substituent effects compared to thiophene2022 Physical Chemistry Chemical Physics article Chemistry Molecular Spectroscopy and Structure Open access
Christina Dindić, Jil Ludovicy, Vladimir Terzi, Arne Lüchow, Natalja Vogt, J. Demaison, +1 more
13citations -
A quantitative analysis of two-fold electrical conductivity relaxation behaviour in mixed proton–oxide-ion–electron conductors upon hydration2020 Physical Chemistry Chemical Physics article Materials Science Advancements in Solid Oxide Fuel Cells
Andreas Falkenstein, Roger A. De Souza, Wilhelm Albert Meulenberg, Manfred Martin
12citations -
Interactions between a responsive microgel monolayer and a rigid colloid: from soft to hard interfaces2021 Physical Chemistry Chemical Physics article Materials Science Pickering emulsions and particle stabilization Open access
Steffen Bochenek, Cathy E. McNamee, Michael Kappl, Hans‐Jürgen Butt, Walter H. Richtering
11citations -
Formation of phenylacetylene and benzocyclobutadiene in the ortho -benzyne + acetylene reaction2022 Physical Chemistry Chemical Physics article Chemistry Cyclization and Aryne Chemistry Open access
Morgan N. McCabe, Patrick Hemberger, Dario Campisi, Jeger C. Broxterman, Engelbert Reusch, András Bödi, +1 more
11citations -
In-depth magnetometry and EPR analysis of the spin structure of human-liver ferritin: from DC to 9 GHz2023 Physical Chemistry Chemical Physics article Biochemistry, Genetics and Molecular Biology Electron Spin Resonance Studies Open access
Lucia Bossoni, Jacqueline A. Labra-Muñoz, Herre S. J. van der Zant, Vera Čaluković, Anton J. E. Lefering, Ramón Egli, +1 more
11citations -
Impact of the Sr content on the redox thermodynamics and kinetics of Ca 1− x Sr x MnO 3− δ for tailored properties2023 Physical Chemistry Chemical Physics article Materials Science Advancements in Solid Oxide Fuel Cells
Lena Klaas, Brendan Bulfin, Dorottya Kriechbaumer, Martin Roeb, Christian Sattler
10citations -
Photo- and thermo-responsive microgels with supramolecular crosslinks for wavelength tunability of the volume phase transition temperature2022 Physical Chemistry Chemical Physics article Biochemistry, Genetics and Molecular Biology Hydrogels: synthesis, properties, applications
Wenjing Liang, Carlos G. Lopez, Walter H. Richtering, Dominik Wöll
10citations