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.
F. Ziegler, J. Bruckner, M. Nowakowski, M. Bauer, P. Probst, B. Atwi, and M. Buchmeiser. Dataset, (2023)Related to: Ziegler, F., Bruckner, J. R., Nowakowski, M., Bauer, M., Probst, P., Atwi, B., Buchmeiser, M. R., Macrocyclization of Dienes under Confinement with Cationic Tungsten Imido/Oxo Alkylidene N-Heterocyclic Carbene Complexes. ChemCatChem 2023, e202300871. doi: 10.1002/cctc.202300871.
L. Yao, A. Rodríguez-Camargo, M. Xia, D. Mücke, R. Guntermann, Y. Liu, L. Grunenberg, A. Jiménez-Solano, S. Emmerling, V. Duppel and 6 other author(s). Dataset, (2023)Related to: Liang Yao, Andrés Rodríguez-Camargo, Meng Xia, David Mücke, Roman Guntermann, Yongpeng Liu, Lars Grunenberg, Alberto Jiménez-Solano, Sebastian T. Emmerling, Viola Duppel, Kevin Sivula, Thomas Bein, Haoyuan Qi, Ute Kaiser, Michael Grätzel, and Bettina V. Lotsch. Covalent Organic Framework Nanoplates Enable Solution-Processed Crystalline Nanofilms for Photoelectrochemical Hydrogen Evolution. J. Am. Chem. Soc. 2022, 144(23), 10291-10300. doi: 10.1021/jacs.2c01433.
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.
K. Gugeler, and J. Kästner. Dataset, (2022)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.
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.
L. Hückmann, and 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.
K. Gugeler, and J. Kästner. Dataset, (2023)Related to: Koushani Kundu, Janis V. Musso, Mathis J. Benedikter, Wolfgang Frey, Katrin Gugeler, Johannes Kästner and Michael R.Buchmeiser. Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis. Chem. Eur. J. 2023, e202301818. doi: 10.1002/chem.202301818.
S. Klostermann, and J. Kästner. Dataset, (2023)Related to: Marc Schnierle, Sina Klostermann, Elif Kaya, Zheng Li, Daniel Dittmann, Carolin Rieg, Deven P. Estes, Johannes Kästner, Mark R. Ringenberg, and Michael Dyballa. How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study. Inorg. Chem. 2023, 62, 19, 7283-7295. doi: 10.1021/acs.inorgchem.3c00351.
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.
J. Bruckner, and A. Beurer. Dataset, (2021)Related to: Johanna R. Bruckner, Jessica Bauhof, Jacqueline Gebhardt, Ann-Katrin Beurer, Yvonne Traa, and Frank Giesselmann. Mechanisms and Intermediates in the True Liquid Crystal Templating Synthesis of Mesoporous Silica Materials. J. Phys. Chem. B 2021, 125, 12, 3197-3207. doi: 10.1021/acs.jpcb.0c11005.
C. Rieg, and M. Dyballa. 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, 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.
I. Tischler, C. Holm, R. Weeber, M. Kuron, F. Weik, and R. Kaufmann. Software, (2022)Related to: Tischler I, Weik F, Kaufmann R, Kuron M, Weeber R, Holm C. A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems. J. Comput. Sci., 2022, 101770. doi: 10.1016/j.jocs.2022.101770.
I. Tischler, A. Schlaich, and C. Holm. Software, (2023)Related to: Ingo Tischler, Alexander Schlaich, Christian Holm. Disentanglement of Surface and Confinement Effects for Diene Metathesis in Mesoporous Confinement. ACS Omega 2023. doi: 10.1021/acsomega.3c06195.
K. Gugeler, and 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.
S. Klostermann, and J. Kästner. Dataset, (2023)Related to: Erik J. Wimmer, Sina V. Klostermann, Mark Ringenberg, Johannes Kästner, Deven P. Estes. Oxo-Bridged Zr dimers as well-defined models of oxygen vacancies on ZrO2. European Journal of Inorganic Chemistry 2023, 26, e202200709. doi: 10.1002/ejic.202200709.
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.
E. Goldstein, M. Buchmeiser, F. Ziegler, A. Beurer, Y. Traa, and 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.
P. Hauser, W. Frey, and 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.
M. Buchmeiser, D. Wang, R. Schowner, L. Stöhr, F. Ziegler, S. Sen, and 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.
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. 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.
J. Musso, R. Schowner, L. Falivene, L. Cavallo, and M. Buchmeiser. Dataset, (2021)Related to: Musso, J.V., Schowner, R., Falivene, L., Frey, W., Cavallo, L. and Buchmeiser, M.R. (2021), Predicting Catalytic Activity from 13CCH Alkylidene Chemical Shift in Cationic Tungsten Oxo Alkylidene N-Heterocyclic Carbene Complexes. ChemCatChem. doi: 10.1002/cctc.202101510.
J. Groos, M. Koy, J. Musso, M. Neuwirt, T. Pham, P. Hauser, W. Frey, and 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.
I. Elser, R. Schowner, L. Stöhr, K. Herz, M. Benedikter, S. Sen, W. Frey, D. Wang, and M. Buchmeiser. Dataset, (2023)Related to: Iris Elser, Roman Schowner, Laura Stöhr, Katharina Herz, Mathis J. Benedikter, Suman Sen, Wolfgang Frey, Dongren Wang, and Michael R. Buchmeiser. Isomers of Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes. Organometallics 2022 41 (10), 1232-1248. doi: 10.1021/acs.organomet.2c00129.
F. Ziegler, M. Benedikter, and D. Wang. Dataset, (2021)Related to: Felix Ziegler, Hamzeh Kraus, Mathis J. Benedikter, Dongren Wang, Johanna R. Bruckner, Michal Nowakowski, Kilian Weißer, Helena Solodenko, Guido Schmitz, Matthias Bauer, Niels Hansen, and Michael R. Buchmeiser, Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes, ACS Catalysis 2021, 11, 18, 11570-11578. doi: 10.1021/acscatal.1c03057.
J. Musso, R. Schowner, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: R. Schowner, J. V. Musso, W. Frey, M. R. Buchmeiser. Cationic Tungsten Imido Alkylidene N-Heterocyclic Carbene Complexes That Contain Bulky Ligands, Organometallics 2021, 40, 3145-3157. doi: 10.1021/acs.organomet.1c00373.
J. Musso, M. Benedikter, P. Gebel, V. Gramm, R. Schowner, and M. Buchmeiser. Dataset, (2021)Related to: J. V. Musso, M. Benedikter, P. Gebel, V. Gramm, D. Wang, R. Schowner, M. R. Buchmeiser, Cationic tungsten imido alkylidene N-heterocyclic carbene complexes for stereospecific ring-opening metathesis polymerization of norbornene derivatives, Polymer Chemistry 2021, 12, 5979-5985. doi: 10.1039/D1PY01158H.
C. Vogler, S. Naumann, and J. Bruckner. Dataset, (2022)Related to: Charlotte Vogler, Stefan Naumann and Johanna R. Bruckner, Predictive design of ordered mesoporous silica with well-defined, ultra-large mesopores, Mol. Syst. Des. Eng., 2022. doi: 10.1039/D2ME00107A.
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. 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.
R. Schowner, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Schowner, R., Frey, W. and Buchmeiser, M.R. (2019), Understanding Synthetic Peculiarities of Cationic Molybdenum(VI) Imido Alkylidene N-Heterocyclic Carbene Complexes. Eur. J. Inorg. Chem., 2019, 1911-1922. doi: 10.1002/ejic.201900021.
R. Pesl, M. Stötzner, I. Georgievski, and M. Aiello. Dataset, (2023)Related to: Pesl, R.D., Stötzner, M., Georgievski, I., Aiello, M.: Uncovering LLMs for Service-Composition: Challenges and Opportunities. In: ICSOC 2023 Workshops (2023).
J. Görtler, T. Spinner, D. Weiskopf, and O. Deussen. Software, (2022)Related to: J. Görtler, T. Spinner, D. Streeb, D. Weiskopf and O. Deussen, Üncertainty-Aware Principal Component Analysis," in IEEE Transactions on Visualization and Computer Graphics, vol. 26, no. 1, pp. 822-831, Jan. 2020. doi: 10.1109/TVCG.2019.2934812.
I. Banerjee, and P. Walter. Dataset, (2022)Related to: Banerjee, I., Walter, P., Guthke, A., Mumford, K.G. & Nowak, W. (2022). The Method of Forced Probabilities: A Computation Trick for Bayesian Model Evidence. Computational Geosciences. Accepted for publication.
J. Musso, M. Benedikter, P. Gebel, I. Elser, W. Frey, and M. Buchmeiser. Dataset, (2021)Related to: Janis V. Musso, Mathis J. Benedikter, Paul Gebel, Iris Elser, Wolfgang Frey, and Michael R. Buchmeiser. Synthesis of Tungsten(VI) Imido Alkylidene Bispyrrolide Complexes via the Isocyanate Route. Organometallics 2020 39 (17), 3072-3076. doi: 10.1021/acs.organomet.0c00435.
A. Krtschil, L. Orozco, A. Shah, T. Chen, A. Menges, and J. Knippers. Dataset, (2024)Related to: Anna Krtschil, Luis Orozco, Simon Bechert, Hans Jakob Wagner, Felix Amtsberg, Tzu-Ying Chen, Anand Shah, Achim Menges, Jan Knippers, "Structural development of a novel punctually supported timber building system for multi-storey construction", Journal of Building Engineering, Volume 58, 2022, pages 104972. doi: 10.1016/j.jobe.2022.104972.
X. Xu. Dataset, (2023)Related to: Xu, Xiang, Xi Zhang, Andrei Ruban, Siegfried Schmauder, and Blazej Grabowski. "Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al." Acta Materialia 255 (2023): 118986. doi: 10.1016/j.actamat.2023.118986.
J. Yang, S. Kondrat, C. Lian, H. Liu, A. Schlaich, and C. Holm. Dataset, (2023)Related to: J. Yang, S. Kondrat, C. Lian, H. Liu, A. Schlaich, und C. Holm, „Solvent Effects on Structure and Screening in Confined Electrolytes“, Phys. Rev. Lett., Bd. 131, Nr. 11, 118201, Sep. 2023. doi: 10.1103/PhysRevLett.131.118201.
A. Jaust, and P. Schmidt. Software, (2021)Related to: Schmidt, P., Jaust, A., Steeb, H., and Schulte, M.: "Simulation of flow in deformable fractures using a quasi-Newton based partitioned coupling approach". Computational Geosciences (2022). doi: 10.1007/s10596-021-10120-8.
H. Xu, and C. Hinze. Dataset, (2023)Related to: H. Xu, C. Hinze, A. Lechler, A. Verl, Robust μ Parameterization with Low Tuning Complexity of Cascaded Control for Feed Drives. Control Engineering Practice. Vol. 138, 2023, 105607. doi: 10.1016/j.conengprac.2023.105607.
J. Rettberg, D. Wittwar, P. Buchfink, A. Brauchler, P. Ziegler, J. Fehr, and B. Haasdonk. Dataset, (2023)Related to: Rettberg, J.; Wittwar, D.; Buchfink, P.; Brauchler, A.; Ziegler, P.; Fehr, J.; Haasdonk, B.: Port-Hamiltonian Fluid-Structure Interaction Modeling and Structure-Preserving Model Order Reduction of a Classical Guitar. Mathematical and Computer Modelling of Dynamical Systems, 2023. doi: 10.1080/13873954.2023.2173238.
A. Jaust, K. Weishaupt, B. Flemisch, and M. Schulte. Dataset, (2021)Related to: Jaust A., Weishaupt K., Mehl M., Flemisch B. (2020) Partitioned Coupling Schemes for Free-Flow and Porous-Media Applications with Sharp Interfaces. In: Klöfkorn R., Keilegavlen E., Radu F., Fuhrmann J. (eds) Finite Volumes for Complex Applications IX - Methods, Theoretical Aspects, Examples. FVCA 2020. Springer Proceedings in Mathematics & Statistics, vol 323. Springer, Cham. doi: 10.1007/978-3-030-43651-3_57.
I. Banerjee. Dataset, (2021)Related to: Banerjee, I., Guthke, A., Van de Ven, C. J. C., Mumford, K. G. & Nowak, W. (2021). Overcoming the Model-Data-Fit Problem in Porous Media: A Quantitative Method to Compare Invasion-Percolation Models to High-Resolution Data. Water Resources Research, 57, e2021WR029986. doi: 10.1029/2021WR029986.
D. Holzmüller. Software, (2021)Related to: David Holzmüller. On the Universality of the Double Descent Peak in Ridgeless Regression. International Conference on Learning Representations, 2021. arXiv: 2010.01851.
J. Wagner, C. Hagenlocher, F. Fetzer, C. Böhm, R. Weber, S. Weihe, and T. Graf. Dataset, (2021)Related to: Wagner, J.; Hagenlocher, C.; Fetzer, F.; Böhm, C.; Weber, R.; Weihe, S.; Graf, T. Numerical Analysis of the Local Solidification Conditions in Laser Beam Welding of Aluminum Alloys. In LiM 2019. Lasers in Manufacturing, München, 24.-27.6; WLT e.V., Ed., 2019.
T. Koch, H. Wu, and M. Schneider. Software, (2021)Related to: Timo Koch, Hanchuan Wu, Martin Schneider. (2021). Nonlinear mixed-dimension model for embedded tubular networks with application to root water uptake. Journal of Computational Physics, 110823. doi: 10.1016/j.jcp.2021.110823.