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, 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.
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.
C. Lohrmann, and C. Holm. Software, (2023)Related to: Lohrmann, Holm: Öptimal motility strategies for self-propelled agents to explore porous media" (2023). arXiv: arXiv:2302.06709.
C. Lohrmann, and C. Holm. Software, (2023)Related to: Lohrmann, C. and Holm, C.: A novel model for biofilm initiation in porous media flow (under revision).
C. Lohrmann, and C. Holm. Software, (2023)Related to: Lohrmann, Holm, Datta: Influence of bacterial motility and hydrodynamics on phage bacteria encounters, to be submitted.
T. Praditia, M. Karlbauer, S. Otte, S. Oladyshkin, M. Butz, and W. Nowak. Dataset, (2022)Related to: Praditia, T., Karlbauer, M., Otte, S., Oladyshkin, S., Butz, M.V., Nowak, W.: Learning Groundwater Contaminant Diffusion-Sorption Processes with a Finite Volume Neural Network. Earth and Space Science Open Archive (2022). doi: 10.1002/essoar.10511934.1.
H. Acikalin, P. Panyam, W. Shaikh, D. Wang, S. Ravishankar Kousik, P. Atanasova, and M. Buchmeiser. Dataset, (2023)Related to: Hande Acikalin, Pradeep K. R. Panyam, Abdul Wasif Shaikh, Dongren Wang, Shravan R. Kousik, Petia Atanasova, Michael R. Buchmeiser. Hydrosilylation of Alkynes Under Continuous Flow Using Polyurethane-Based Monolithic Supports with Tailored Mesoporosity. Macromol. Chem. Phys. 2023, 224, 2200234. doi: 10.1002/macp.202200234.
J. Finkbeiner, S. Tovey, and C. Holm. Dataset, (2024)Related to: Jan Finkbeiner, Samuel Tovey, Christian Holm: Generating Minimal Training Sets for Machine Learned Potentials (2023). arXiv: 2309.03840.
S. Burbulla, M. Hörl, and C. Rohde. Dataset, (2022)Related to: S. Burbulla, M. Hörl, and C. Rohde (2022). "Flow in Porous Media with Fractures of Varying Aperture." Submitted for publication. doi: 10.48550/arXiv.2207.09301.
D. Holzmüller. Software, (2022)Related to: David Holzmüller and Dirk Pflüger. Fast Sparse Grid Operations using the Unidirectional Principle: A Generalized and Unified Framework. Sparse Grids and Applications - Munich 2018 (2021). doi: 10.1007/978-3-030-81362-8_4.
T. Schrader, D. Schneider, and B. Uekermann. Software, (2023)Related to: David Schneider, Timo Pierre Schrader, Benjamin Uekermann: "Data-Parallel Radial-Basis Function Interpolation in preCICE", International Conference on Computational Methods for Coupled Problems in Science and Engineering 2023 (in preparation).
C. Homs Pons, and R. Lautenschlager. Software, (2024)Related to: Coupled Simulations and Parameter Inversion for Neural System and Electrophysiological Muscle Models, submitted to GAMM Mitteilungen.