1 to 10 of 195 Results
Jan 16, 2026 - SFB 1333 C4 - Kästner group, ITheoC
Haid, Severin; Kästner, Johannes, 2026, "Replication Data for: Tuning Regioselectivity in Cyclopolymerization through Carbene Ligand Size Modulation in Molybdenum Imido Alkylidene Catalysts", https://doi.org/10.18419/DARUS-5601, DaRUS, V1, UNF:6:0oSw6+PTOBrLaZ7L1EFQYg== [fileUNF]
In this dataset, all simulation data are listed. That includes all geometry optimizations and, where relevant, energy and/or partial charge calculations. All structures are named "*.xyz", the input files are named "*.chm", and the output files are named "out". The names of the catalysts are different in the simulations than the ones used in the pap... |
Jan 8, 2026 - SFB 1333 A4 - Bruckner group
Itzigehl, Selina; Ott, Tom; Ströhle, Anne-Kathrin; Nguyen, Hoang-Huy; Roham Talei Jeid; Ay, Nağme; Terban, Maxwell; Dyballa, Michael; Schmitz, Guido; Estes, Deven; Bruckner, Johanna R., 2026, "Replication data for: "Efficient synthesis of well-defined ordered mesoporous aluminosilicates with tailorable acidity"", https://doi.org/10.18419/DARUS-5164, DaRUS, V1, UNF:6:Cznj/4TwbYhva1j9oY94ew== [fileUNF]
This dataset contains all primary and/or processed data underlying the publication "Efficient synthesis of well-defined ordered mesoporous aluminosilicates with tailorable acidity". The publication reports the synthesis and characterization of ordered mesoporous aluminosilicates by direct liquid crystal templating. Take a look at the publication Da... |
Dec 19, 2025 - SFB 1333 A3 - Lotsch group, MPI-FKF
Knapp, Julia; Ortín-Rubio, Borja; Heck, Fabian; Gjorgjevikj, Kristina; Sleptsova, Anastasia; Krause, Simon; Bette, Sebastian; Lotsch, Bettina V., 2025, "Replication Data for: Dynamic breathing behaviour of the titanium- based metal–organic framework NTU-9 upon adsorption of water and organic solvents", https://doi.org/10.18419/DARUS-5230, DaRUS, V1, UNF:6:wcwTvhqPsyJqQ1O3cKtXkA== [fileUNF]
All primary data files of the journal article mentioned can be found here. The data is structured by analysis technique. All files are tagged with the corresponding material. The characterization and catalysis data are recorded experimentally. |
Dec 5, 2025 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Kundu, Koushani; Frey, Wolfgang; Buchmeiser, Michael, 2025, "Replication Data for: Synthetic and Structural Peculiarities in Molybdenum(VI) Nitrido N-Heterocyclic Carbene Complexes", https://doi.org/10.18419/DARUS-5518, DaRUS, V1
All primary data files of measurements and processed data of the journal article mentioned can be found here. This dataset contains the ¹H, ¹⁹F, and ¹³C NMR spectra of all the novel complexes, as well as the single-crystal X-ray structures of selected complexes. |
Nov 29, 2025
In this dataverse you can find all research data related to publications of the group generated within the context of CRC 1333. |
Nov 10, 2025 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Probst, Patrick; Lindemann, Moritz; Bruckner, Johanna R.; Atwi, Boshra; Fischer, Felix Richard; Wang, Dongren; Högler, Marc; Bauer, Matthias; Hansen, Niels; Dyballa, Michael; Buchmeiser, Michael, 2025, "Replication Data for: "Ring-Expansion Metathesis Polymerization under Confinement"", https://doi.org/10.18419/DARUS-5516, DaRUS, V1
This dataset contains experimental data for the above mentioned publication in form of txt files for the GPC, BET and MALDI-TOF data as well as bruker folders for the obtained NMR data. The data is structured according to measurement type and substructured by pore sizes as well as reaction conditions where applicable. |
Oct 6, 2025 - SFB 1333 - Estes group, ITC
Wimmer, Erik Jasper, 2025, "Replication Data for: Properties of COOH-Functionalized Silica: A Particularly Weak Solid Acid", https://doi.org/10.18419/DARUS-5132, DaRUS, V1, UNF:6:CB90xGpB7AHsB7L25q2www== [fileUNF]
All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes group can be found here. The data is structured according to the respective analytical methods in the research article and contains the following data types (format): (IR, potentiometric titration (.csv), NMR (bruker, .mn... |
Sep 1, 2025 - SFB 1333 C08 - Sottmann group, IPC
Abitaev, Karina; Sottmann, Thomas; Atanasova, Petia; Bill, Joachim; Preisig, Natalie; Kuzmenko, Ivan; Ilavsky, Jan; Liu, Yun, 2025, "Replication data of Sottmann group for: "In Situ Ultra-Small- and Small-Angle X-ray Scattering Study of ZnO Nanoparticle Formation and Growth through Chemical Bath Deposition in the Presence of Polyvinylpyrrolidone"", https://doi.org/10.18419/DARUS-5263, DaRUS, V1, UNF:6:RIektINaMyOb2KcZ5/x0Yg== [fileUNF]
All processed data can be found here.The data is structured according to figures and schemes in the research article and contains the following data types: csv, tif (format) |
Aug 27, 2025 - SFB 1333 - Pluhackova Group, SimTech
Kolin, Sofia; Marquardt, Moritz G.; Fläschner, Gotthold; Kessler, Martin; Naumann, Stefan; Pluhackova, Kristyna, 2025, "Supplementary Information to "Molecular determinants of solvent nanoseparation by nanoporous carbon materials"", https://doi.org/10.18419/DARUS-4740, DaRUS, V3
Files and structures for performing and analysing coarse-grained molecular dynamics simulations of solvent diffusion through nanoporous carbon materials. |
Jul 24, 2025 - SFB1333 - C10 - Bauer/Fischer - Dataverse
Fritsch, Lorena; Rhesies, Pia; Barakat, Wael; Estes, Deven; Bauer, Matthias, 2025, "Replication data for Detection and Characterization of Hydride Ligands in Copper Complexes by Hard X‐ray Spectroscopy", https://doi.org/10.18419/DARUS-5088, DaRUS, V1
Transition metal complexes, particularly copper hydrides, play an important role in various catalytic processes and molecular inorganic chemistry. This study employs synchrotron hard X‐ray spectroscopy to gain insights into the geometric and electronic properties of copper hydrides as potential catalysts for CO2 hydrogenation. The potential of high... |
