B. Bursik, J. Eller, und J. Groß. Dataset, (2024)Related to: B. Bursik, J. Eller, J. Gross: Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State. Journal of Physical Chemistry B, (2024). Accepted manuscript.
K. Endo, A. Raza, L. Yao, S. Gele, A. Rodríguez-Camargo, H. Vignolo-González, L. Grunenberg, und B. Lotsch. Dataset, (2024)Related to: K. Endo, A. Raza, L. Yao, S. Van Gele, A. Rodríguez-Camargo, H. A. Vignolo-González, L. Grunenberg, B. V. Lotsch, Downsizing Porphyrin Covalent Organic Framework Particles Using Protected Precursors for Electrocatalytic CO2 Reduction. Adv. Mater. 2024, 2313197. doi: 10.1002/adma.202313197.
M. Buchmeiser, D. Wang, R. Schowner, L. Stöhr, F. Ziegler, S. Sen, und W. Frey. Dataset, (2024)Related to: M. R. Buchmeiser, D. Wang, R. Schowner, L. Stöhr, F. Ziegler, S. Sen, W. Frey,; Synthetic and Structural Peculiarities of Neutral and Cationic Molybdenum Imido and Tungsten Oxo Alkylidene Complexes Bearing Weakly Coordinating N-Heterocyclic Carbenes; Eur. J. Inorg. Chem., in press (2024). doi: 10.1002/ejic.202400082.
S. Kousik. Dataset, (2024)Related to: Shravan R. Kousik, Helena Solodenko, Azade YazdanYar, Manuel Kirchhof, Peter Schützendübe, Gunther Richter, Sabine Laschat, Maria Fyta, Guido Schmitz, Joachim Bill, Petia Atanasova, A Complementary Experimental and Theoretical Approach for Probing the Surface Functionalization of ZnO with Molecular Catalyst Linkers, Advanced Materials Interfaces, 2023, 10 (26), 2300399. doi: 10.1002/admi.202300399.
P. Probst, J. Groos, D. Wang, K. Gugeler, A. Beck, J. Kästner, W. Frey, und 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.
M. Kirchhof. Dataset, (2024)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 Atasanova , Stefan Naumann , Matthias Bauer , Johanna 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.
A. Schlaich. Software, (2024)Related to: Alexander Schlaich, Matthieu Vandamme, Marie Plazanet, Benoit Coasne, "Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials", (2024). arXiv: arXiv:2403.19812.
Z. Trivedi, J. Wychowaniec, D. Gehweiler, C. Sprecher, A. Boger, B. Gueorguiev, M. D'Este, T. Ricken, und O. Röhrle. Dataset, (2024)Related to: Trivedi, Z., Wychowaniec, J. K., Gehweiler, D., Sprecher, C. M., Boger, A., Gueorguiev, B., D’Este, M., Ricken, T., & Röhrle, O. (2023). Rheological Analysis and Evaluation of Measurement Techniques for the Curing Polymethylmethacrylate Bone Cement in Vertebroplasty. arXiv: arXiv:2312.11426.
D. Lee, F. Weinhardt, J. Hommel, H. Class, und 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.
L. Hückmann, und 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.
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.
S. Gravelle, C. Holm, und 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.
K. Gugeler, und 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.