K. Gugeler, and J. Kästner. Dataset, (2023)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 and 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. 13, 410-425, 2023. doi: 10.1039/d2cy01578a.
M. Kesharwani, I. Elser, J. Musso, M. Buchmeiser, and J. Kästner. 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 2020, 39 (17), 3146-3159. doi: 10.1021/acs.organomet.0c00311.
R. Schuldt, J. Kästner, and S. Naumann. Dataset, (2021)Related to: Schuldt, R., Kästner, J., & Naumann, S. “Proton Affinities of N-Heterocyclic Olefins and Their Implications for Organocatalyst Design.” J. Org. Chem. 84, 2209-2218 (2019). doi: 10.1021/acs.joc.8b03202.
P. Probst, J. Groos, D. Wang, K. Gugeler, A. Beck, J. Kästner, W. Frey, and M. Buchmeiser. Dataset, (2024)Related to: Patrick Probst, Jonas Groos, Dongren Wang, Alexander Beck, Katrin Gugeler, Johannes Kästner, Wolfgang Frey, and Michael R. Buchmeiser, Stereoselective Ring Expansion Metathesis Polymerization with Cationic Molybdenum Alkylidyne N-Heterocyclic Carbene Complexes, Journal of the American Chemical Society 2024 146 (12), 8435-8446. doi: 10.1021/jacs.3c14457.
V. Zaverkin, D. Holzmüller, I. Steinwart, and J. Kästner. Software, (2021)Related to: V. Zaverkin, D. Holzmüller, I. Steinwart, and J. Kästner, “Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments,” J. Chem. Theory Comput. 17, 6658–6670 (2021). doi: 10.1021/acs.jctc.1c00527.
D. Holzmüller, V. Zaverkin, J. Kästner, and I. Steinwart. Software, (2022)Related to: David, Holzmüller, Viktor Zaverkin, Johannes Kästner, and Ingo Steinwart. A Framework and Benchmark for Deep Batch Active Learning for Regression, 2022. arXiv: 2203.09410.
D. Holzmüller, V. Zaverkin, J. Kästner, and I. Steinwart. Software, (2022)Related to: David Holzmüller, Viktor Zaverkin, Johannes Kästner, and Ingo Steinwart. A Framework and Benchmark for Deep Batch Active Learning for Regression, 2022. arXiv: 2203.09410.
S. Emmerling, R. Schuldt, S. Bette, L. Yao, R. Dinnebier, J. Kästner, and B. Lotsch. Dataset, (2023)Related to: Sebastian T. Emmerling, Robin Schuldt, Sebastian Bette, Liang Yao, Robert E. Dinnebier, Johannes Kästner, and Bettina V. Lotsch. Interlayer Interactions as Design Tool for Large-Pore COFs. J. Am. Chem. Soc. 2021, 143 (38), 15711-15722. doi: 10.1021/jacs.1c06518.