J. Jung, P. Srinivasan, A. Forslund, and 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, and 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, and 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, 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. Jung, A. Forslund, P. Srinivasan, and 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.
A. Forslund, J. Jung, P. Srinivasan, and B. Grabowski. Dataset, (2023)Related to: A. Forslund, J. H. Jung, P. Srinivasan, and B. Grabowski, Thermodynamic properties on the homologous temperature scale from direct upsampling: Understanding electron-vibration coupling and thermal vacancies in bcc refractory metals, Phys. Rev. B 107, 174309 (2023). doi: 10.1103/PhysRevB.107.174309.
K. Gugeler, and J. Kästner. Dataset, (2023)Related to: Manuel Kirchhof, Katrin Gugeler, Ann-Katrin Beurer, Felix Richard Fischer, Derman Batman, Soeren M. Bauch, Sofia Kolin, Elliot Nicholas, Roland Schoch, Charlotte Vogler, Shravan R. Kousik, Anna Zens, Bernd Plietker, Petia Atanasova, Stefan Naumann, Matthias Bauer, Johanna R. Bruckner, Yvonne Traa, Johannes Kästner and Sabine Laschat. Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis. Catal. Sci. Technol., 2023,13, 3709-3724. doi: 10.1039/D3CY00381G.
M. Buchmeiser, P. Probst, D. Wang, and P. Hauser. Dataset, (2023)Related to: Buchmeiser, M. R., Probst, P., Wang, D., Hauser, P., Stereoselective Ring-Opening Metathesis Polymerization with Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes. Macromol. Chem. Phys. 2023, 224, 2200350. doi: 10.1002/macp.202200350.
P. Walther, A. Krauß, and S. Naumann. Dataset, (2023)Related to: Patrick Walther, Annabelle Krauß, Dr. Stefan Naumann, Lewis Pair Polymerization of Epoxides via Zwitterionic Species as a Route to High-Molar-Mass Polyethers, Angewandte Chemie 2019 58 (31), 10737-10741. doi: 10.1002/anie.201904806.