L. Hückmann, and J. Kästner. Dataset, (2023)Related to: Lukas Hückmann, Dr. Sonia Álvarez-Barcia, Marina Fuhrer, Prof. Dr. Bernd Plietker, and Prof. Dr. Johannes Kästner. Ruthenium-Catalyzed Secondary Amine Formation Studied by Density Functional Theory. ChemCatChem2021,13,1383-1388. doi: 10.1002/cctc.202001588.
N. Segreto, and J. Kästner. Dataset, (2023)Related to: Nico Segreto, Tim M. Schwarz, Carolin A. Dietrich, Patrick Stender, Robin Schuldt, Guido Schmitz, and Johannes Kästner. Understanding the Underlying Field Evaporation Mechanism of Pure Water Tips in High Electrical Fields. J. Phys. Chem. A 2022, 126, 33, 5663-5671. doi: 10.1021/acs.jpca.2c04163.
J. Kästner, M. Kesharwani, I. Elser, J. Musso, and M. Buchmeiser. Dataset, (2021)Related to: Kesharwani, M. K., Elser, I., Musso, J. V., Buchmeiser, M. R., & Kästner, J. “Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst.” Organometallics 39, 3146-3159 (2020). doi: 10.1021/acs.organomet.0c00311.
A. Jaust, and P. Schmidt. Software, (2021)Related to: Schmidt, P., Jaust, A., Steeb, H., and Schulte, M.: "Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach". Computational Geosciences (2022). doi: 10.1007/s10596-021-10120-8.
S. Burbulla, and C. Rohde. Software, (2021)Related to: Samuel Burbulla and Christian Rohde. A Finite-Volume Moving-Mesh Method for Two-phase Flow in Fracturing Porous Media. arXiv: 2103.13320.
J. Kästner, and M. Kesharwani. Dataset, (2021)Related to: Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Mössbauer and Catalysis Approach. Mathis Benedikter, Janis Musso, Manoj K. Kesharwani, K. Leonard Sterz, Iris Elser, Felix Ziegler, Felix Fischer, Bernd Plietker, Wolfgang Frey, Johannes Kästner, Mario Winkler, Joris van Slageren, Michal Nowakowski, Matthias Bauer, and Michael R. Buchmeiser. ACS Catalysis 2020, 10, 24, 14810-14823. doi: 10.1021/acscatal.0c03978.
C. Lohrmann. Dataset, (2021)Related to: M. Lee et al "The influence of motility on bacterial accumulation in a microporous channel", Soft Matter (2021), 10.1039/D0SM01595D. doi: 10.1039/D0SM01595D.
Z. Li. Dataset, (2022)Related to: Li, Z.; Dittmann, D.; Rieg, C.; Benz, M.; Dyballa, M. Confinement and surface sites control methanol adsorbate stability on MFI zeolites, SBA-15, and a silica-supported heteropoly acid. Catalysis Science & Technology 2022, 12 (7), 2265-2277. doi: 10.1039/d1cy02330f.
C. Rieg. Dataset, (2021)Related to: C. Rieg, D. Dittmann, Z. Li, R. Lawitzki, K. Gugeler, S. Maier, G. Schmitz, J. Kästner, D. P. Estes, M. Dyballa, Quantitative Distinction between Noble Metals Located in Mesopores from Those on the External Surface. Chemistry - A Eurorean Journal 2021. doi: 10.1002/chem.202102076.
D. Lee, F. Weinhardt, J. Hommel, H. Class, and H. Steeb. Dataset, (2023)Related to: Lee, D., Weinhardt, F., Hommel, J., Piotrovski, J., Class, H., and Steeb, H. (2022). Machine Learning assists in increasing the time resolution of X-Ray Computed Tomography applied to mineral precipitation on porous media. Scientific Reports, to be submitted.
H. Jäger. Software, (2023)Related to: Jäger, Henrik, Alexander Schlaich, Jie Yang, Cheng Lian, Svyatoslav Kondrat und Christian Holm. 2023. A screening of results on the decay length in concentrated electrolytes. Faraday Discussions. Faraday Discussions (Februar). doi: 10.1039/d3fd00043e.
J. Hommel, and F. Weinhardt. Dataset, (2022)Related to: Hommel, J.; Gehring, L., Weinhardt, F., Ruf, M. & Steeb, H. (2022). Effects of enzymatically induced carbonate precipitation on capillary pressure-saturation relations. Minerals, 12(10), 1186. doi: 10.3390/min12101186.
M. Kirchhof. Dataset, (2022)Related to: Carolin Rieg, Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Lukas Stein, Klaus Dirnberger, Wolfgang Frey, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner, Sabine Ludwigs, Sabine Laschat, Michael Dyballa. Determination of accessibility and spatial distribution of chiral Rh diene complexes immobilized on SBA-15 via phosphine-based solid-state NMR probe molecules. Catal. Sci. Technol. 2022, Advance Article. doi: 10.1039/d2cy01578a.
S. Burbulla, M. Hörl, and C. Rohde. Software, (2022)Related to: S. Burbulla, M. Hörl, and C. Rohde (2022). "Flow in Porous Media with Fractures of Varying Aperture." Submitted for publication. doi: 10.48550/arXiv.2207.09301.
I. Tischler, C. Holm, R. Weeber, M. Kuron, F. Weik, and R. Kaufmann. Software, (2022)Related to: Tischler I, Weik F, Kaufmann R, Kuron M, Weeber R, Holm C. A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems. J. Comput. Sci., 2022, 101770. doi: 10.1016/j.jocs.2022.101770.
S. Gravelle, C. Holm, and A. Schlaich. Software, (2023)Related to: Simon Gravelle, Sabina Haber-Pohlmeier, Carlos Mattea, Siegfried Stapf, Christian Holm and Alexander Schlaich: NMR Investigation of Water in Salt Crusts: Insights from Experiments and Molecular Simulations, ChemRxiv, 2023. doi: 10.26434/chemrxiv-2023-6dml7.
M. Deimling. Dataset, (2021)Related to: M. Deimling, S. R. Kousik, K. Abitaev, W. Frey, T. Sottmann, K. Koynov, S. Laschat, P. Atanasova (2021): Hierarchical Silica Inverse Opals as a Catalyst Support for Asymmetric Molecular Heterogeneous Catalysis with Chiral Rh-diene Complexes, ChemCatChem. doi: 10.1002/cctc.202001997.
K. Gugeler, and J. Kästner. Dataset, (2022)Related to: Manuel Kirchhof, Karina Abitaev, Abdulwahab Abouhaileh, Katrin Gugeler, Wolfgang Frey, Anna Zens, Johannes Kästner, Thomas Sottmann, Sabine Laschat. Interplay of Polarity and Confinement in Asymmetric Catalysis with Chiral Rh Diene Complexes in Microemulsions. Chem. Eur. J. 2021, 27, 16853-16870. doi: 10.1002/chem.202102752.