P. Buchholz. Dataset, (2020)Related to: Lohoff C., Buchholz P. C. F., Le Roes-Hill M. & Pleiss J. (2020). The Expansin Engineering Database: a navigation and classification tool for expansins and homologues. Proteins: Structure, Function, and Bioinformatics 89:2. doi: 10.1002/prot.26001.
C. Lohoff. Dataset, (2020)Related to: Lohoff C., Buchholz P. C. F., Le Roes-Hill M. & Pleiss J. (2020). The Expansin Engineering Database: a navigation and classification tool for expansins and homologues. Proteins: Structure, Function, and Bioinformatics 89:2. doi: 10.1002/prot.26001.
V. Zaverkin, D. Holzmüller, I. Steinwart, und 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.
M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: González, B., Calvar, N., Gómez, E., & Domínguez, Á. (2007). Density, dynamic viscosity, and derived properties of binary mixtures of methanol or ethanol with water, ethyl acetate, and methyl acetate at T=(293.15, 298.15, and 303.15)K. The Journal of Chemical Thermodynamics, 39(12), 1578-1588. doi: 10.1016/j.jct.2007.05.004.
M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: Gültig, M., Range, J. P., Schmitz, B., & Pleiss, J. (2022). Integration of Simulated and Experimentally Determined Thermophysical Properties of Aqueous Mixtures by ThermoML. Journal of Chemical & Engineering Data,. doi: 10.1021/acs.jced.2c00391.
P. Hauser, M. van der Ende, J. Groos, W. Frey, D. Wang, und M. Buchmeiser. Dataset, (2021)Related to: Hauser, P.M., van der Ende, M., Groos, J., Frey, W., Wang, D., and Buchmeiser, M.R. (2020), Cationic Tungsten Alkylidyne N-Heterocyclic Carbene Complexes: Synthesis and Reactivity in Alkyne Metathesis. Eur. J. Inorg. Chem., 2020: 3070-3082. doi: 10.1002/ejic.202000503.
A. Beurer. Dataset, (2022)Related to: A.-K. Beurer, J. R. Bruckner, Y. Traa. Influence of the Template Removal Method on the Mechanical Stability of SBA-15. Chemestry Open 2021 10, 1123-1128. doi: 10.1002/open.202100225.
D. Holzmüller, V. Zaverkin, J. Kästner, und 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.
N. Schädel. Dataset, (2021)Related to: Rotational barriers of carbamate-protected amine crosslinkers for hydrogels: A combined experimental and computational studyN. Schädel, J. Gebhardt, M. Löffler, D. Garnier, N. Hansen, S. Laschat, J. Phys. Org. Chem. 2019, 32, e3936. doi: 10.1002/poc.3936.
M. Kirchhof. 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, 68, 16853-16870. doi: 10.1002/chem.202102752.
M. Dyballa. Dataset, (2023)Related to: Daniel Dittmann, Carolin Rieg, Zheng Li, Elif Kaya, and Michael Dyballa. Better Performance in C2-Conversion to Aromatics by Optimized Feed and Catalysts.Energy & Fuels 2023 37 (6), 4566-4579. doi: 10.1021/acs.energyfuels.3c00356.
D. Holzmüller, V. Zaverkin, J. Kästner, und 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. Häussermann. Dataset, (2023)Related to: Häussermann, D.; Schömig, R.; Gehring, B.; Traa, Y. Influence of the Synthesis Protocol on the Catalytic Performance of PHI-Type Zeolites for the Dehydration of Lactic Acid. Catalysts 2023, 13, 261. doi: 10.3390/catal13020261.
J. Groos, M. Koy, J. Musso, M. Neuwirt, T. Pham, P. Hauser, W. Frey, und M. Buchmeiser. Dataset, (2023)Related to: Jonas Groos, Maximilian Koy, Janis Musso, Michael Neuwirt, Thao Pham, Philipp M. Hauser, Wolfgang Frey, and Michael R. Buchmeiser. Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts. Organometallics, 41, 1167-1183 (2022). doi: 10.1021/acs.organomet.2c00080.
R. Peters. Dataset, (2023)Related to: Wanner, D. M., Becker, P. M., Suhr, S., Wannenmacher, N., Ziegler, S., Herrmann, J., Willig, F., Gabler, J., Jangid, K., Schmid, J., Hans, A. C., Frey, W., Sarkar, B., Kästner, J., Peters, R., Cooperative Lewis Acid-1,2,3-Triazolium-Aryloxide Catalysis: Pyrazolone Addition to Nitroolefins as Entry to Diaminoamides, Angew. Chem. Int. Ed. 2023, 62, e202307317. doi: 10.1002/anie.202307317.
E. Goldstein, M. Buchmeiser, F. Ziegler, A. Beurer, Y. Traa, und J. Bruckner. Dataset, (2023)Related to: Elizabeth L. Goldstein, Felix Ziegler, Ann-Katrin Beurer, Yvonne Traa, Johanna R. Bruckner, and Michael R. Buchmeiser, Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes Confined in Mesoporous Silica: Tuning Transition States Towards Z-Selective Ring-Opening Cross-Metathesis, ChemCatChem 2022, 14, e202201008. doi: 10.1002/cctc.202201008.
M. Dyballa. Dataset, (2023)Related to: Schnierle, M.; Klostermann, S.; Kaya, E.; Li, Z.; Dittmann, D.; Rieg, C.; Estes, D. P.; Kästner, J.; Ringenberg, M. R.; Dyballa, M., How Solid Surfaces Control Stability and Interactions of Supported Cationic CuI(dppf) Complexes - A Solid-State NMR Study. Inorganic Chemistry 2023, 62, 19. doi: 10.1021/acs.inorgchem.3c00351.
S. Emmerling, R. Schuldt, S. Bette, L. Yao, R. Dinnebier, J. Kästner, und 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.