M. Gültig, J. Range, B. Schmitz, und J. Pleiss. Software, (2022)Related to: D’Errico, G., Ortona, O., Capuano, F., & Vitagliano, V. (2004). Diffusion Coefficients for the Binary System Glycerol + Water at 25 °C. A Velocity Correlation Study. Journal of Chemical & Engineering Data, 49(6), 1665-1670. doi: 10.1021/je049917u.
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.
J. Jung, P. Srinivasan, A. Forslund, und B. Grabowski. Dataset, (2023)Related to: J. H. Jung, P. Srinivasan, A. Forslund, and B. Grabowski, "High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials", npj Comput. Mater. 9, 3 (2023). doi: 10.1038/s41524-022-00956-8.
P. Panyam, und M. Buchmeiser. Dataset, (2023)Related to: Pradeep K. R. Panyam and Michael R. Buchmeiser. Effect of liquid confinement on regioselectivity in the hydrosilylation of alkynes with cationic Rh(I) N-heterocyclic carbene catalysts. Faraday Discuss., 2023, 244, 39-50. doi: 10.1039/d2fd00152g.
J. Musso, V. Gramm, S. Stein, W. Frey, und M. Buchmeiser. Dataset, (2023)Related to: Musso, J., Gramm, V., Stein, S., Frey, W. and Buchmeiser, M..R. (2022), Molybdenum Alkylidyne Silyloxy N-Heterocyclic Carbene Complexes - Highly Active Alkyne Metathesis Catalysts that can be Handled in Air. Eur. J. Inorg. Chem. 2023, 26, e202200649. doi: 10.1002/ejic.202200649.
N. Segreto, und 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. Jung, A. Forslund, P. Srinivasan, und B. Grabowski. Dataset, (2023)Related to: J. H. Jung, A. Forslund, P. Srinivasan, and B. Grabowski, Dynamically stabilized phases with full ab initio accuracy: Thermodynamics of Ti, Zr, Hf with a focus on the hcp-bcc transition, Phys. Rev. B 108, 184107 (2023). doi: 10.1103/PhysRevB.108.184107.
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.
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.
M. Benedikter. Dataset, (2021)Related to: M. J. Benedikter, J. V. Musso, W. Frey, R. Schowner, M. R. Buchmeiser, Group VI Metal Imido Alkylidene N-Heterocyclic Carbene Nitrile Complexes: Bench-Stable, Functional-Group-Tolerant Olefin Metathesis Catalysts. Angew. Chem. Int. Ed. 2021, 60, 1374. doi: 10.1002/anie.202011666.
P. Hauser, W. Frey, und M. Buchmeiser. Dataset, (2021)Related to: Philipp M. Hauser, Katrin Gugeler, Wolfgang Frey, Johannes Kästner, and Michael R. Buchmeiser. Tungsten Sulfido Alkylidene and Cationic Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes. Organometallics 2021 40 (23), 4026-4034. doi: 10.1021/acs.organomet.1c00577.
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.
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.
P. Buchholz. Dataset, (2021)Related to: Patrick C. F. Buchholz, Bert van Loo, Bernard D. G. Eenink, Erich Bornberg-Bauer, Jürgen Pleiss: Äncestral sequences of a large promiscuous enzyme family correspond to bridges in sequence space in a network representation" (submitted).
K. Gugeler, und 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.
M. Benedikter. Dataset, (2021)Related to: 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, Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach. ACS Catalysis 2020 10 (24), 14810-14823. doi: 10.1021/acscatal.0c03978.
M. Dyballa. Dataset, (2020)Related to: Felix Ziegler, Johannes Teske, Iris Elser, Michael Dyballa, Wolfgang Frey, Hamzeh Kraus, Niels Hansen, Julia Rybka, Ulrich Tallarek, and Michael R. Buchmeiser Journal of the American Chemical Society 2019 141 (48), 19014-19022. doi: 10.1021/jacs.9b08776.
M. Momin, J. Musso, W. Frey, und M. Buchmeiser. Dataset, (2021)Related to: Mohasin Momin, Janis V. Musso, Wolfgang Frey, and Michael R. Buchmeiser. Tuning the Latent Behavior of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes in Dicyclopentadiene Polymerization, Organometallics 2021, 40, 2, 253-265. doi: 10.1021/acs.organomet.0c00740.