All primary data files of published research from CRC 1333, e.g. from journal articles.
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1 to 10 of 195 Results
Replication Data for: Triplet Metallovinylidenes of Palladium and Platinum Based on a Chelating P/Diazoalkene Ligand
Aug 21, 2026 - SFB 1333 C2 - van Slageren group, IPC
Allgaier, Alexander; van Slageren, Joris, 2026, "Replication Data for: Triplet Metallovinylidenes of Palladium and Platinum Based on a Chelating P/Diazoalkene Ligand", https://doi.org/10.18419/DARUS-5598, DaRUS, V1
SQUID data acquired in the van Slageren group for the related Publication is reported here.
Replication Data for: "Relevant metal oxidation states of MAO-activated chromium catalysts for ethylene oligomerization"
Aug 21, 2026 - SFB 1333 C2 - van Slageren group, IPC
Allgaier, Alexander; Fischer, Felix Richard; Bhattacharya, Somnath; Balliet, Kevin; Buchmeiser, Michael; Bauer, Matthias; van Slageren, Joris, 2026, "Replication Data for: "Relevant metal oxidation states of MAO-activated chromium catalysts for ethylene oligomerization"", https://doi.org/10.18419/DARUS-5731, DaRUS, V1
The dataset contains HFEPR, SQUID and XAS data and the related MAtlab and python scripts for tha data evaluation. When downloaded, the dataset is structured in subfolders according to the samples and figures in the publication. Next to tha raw data, all matlab and python scripts for data evaluation are provided with the raw data.
Replication Data for: "Enhanced aging stability of ordered mesoporous silica materials synthesized via true liquid crystal templating - a small-angle X-ray scattering study"
Aug 19, 2026 - SFB 1333 - Gießelmann group, IPC
Tan, Xiangyin; Atwi, Boshra; Bui Duc, Huy; Buchmeiser, Michael; Giesselmann, Frank, 2026, "Replication Data for: "Enhanced aging stability of ordered mesoporous silica materials synthesized via true liquid crystal templating - a small-angle X-ray scattering study"", https://doi.org/10.18419/DARUS-5767, DaRUS, V1, UNF:6:BgMJ3XbdGNWKmRDFgsvakA== [fileUNF]
This dataset contains all primary and/or processed data underlying the publication: "Enhanced aging stability of ordered mesoporous silica materials synthesized via true liquid crystal templating - a small-angle X-ray scattering study". The publication report the ordered mesoporous silica synthesized via true liquid crystal templating showing more...
Supplementary Information to "Impact of catalyst functionalization, framework defects, and guest loading on nitrobenzene diffusivity in Zr-based metal-organic framework UiO-67 investigated by molecular dynamics and PFG-NMR"
Jul 29, 2026 - SFB 1333 - Pluhackova Group, SimTech
Kolin, Sofia; Shatla, Hassan; Pluhackova, Kristyna, 2026, "Supplementary Information to "Impact of catalyst functionalization, framework defects, and guest loading on nitrobenzene diffusivity in Zr-based metal-organic framework UiO-67 investigated by molecular dynamics and PFG-NMR"", https://doi.org/10.18419/DARUS-5718, DaRUS, V1
Files and structures for performing all-atom molecular dynamics simulations of UiO-67 and UiO-67-based structures filled with nitrobenzene.
Replication Data for: "The Devil is in the Details: Pitfalls and Ambiguities in the Analysis of X-ray Powder Diffraction Data of 2D Covalent Organic Frameworks"
Jul 6, 2026 - SFB 1333 A3 - Lotsch group, MPI-FKF
Van Gele, Samuel; Bette, Sebastian; Lotsch, Bettina V., 2026, "Replication Data for: "The Devil is in the Details: Pitfalls and Ambiguities in the Analysis of X-ray Powder Diffraction Data of 2D Covalent Organic Frameworks"", https://doi.org/10.18419/DARUS-4588, DaRUS, V1
All primary data files of the journal article can be found here. The data is structured according to materials. The simulation, refinement and characterization data of each material are located in their respective subfolders: "COF-LZU1", and "COF-366-Co". The characterization data are recorded experimentally in the subfolder "Characterization". Ref...
Data for: Elucidating the Structure and the Impact of Synthesis Methods on the Flexibility of the Metal-Organic Framework MIL 88 A (Fe) During Water Capture
Jun 12, 2026 - SFB 1333 A08 - Krause group, MPI-FKF
Manitz, Timo; Heck, Fabian; Rezeki, Sri; Gjorgjevikj, Kristina; Tokuda, Shun; Bette, Sebastian; Canossa, Stefano; Leistenschneider, Desiree; Krause, Simon, 2026, "Data for: Elucidating the Structure and the Impact of Synthesis Methods on the Flexibility of the Metal-Organic Framework MIL 88 A (Fe) During Water Capture", https://doi.org/10.18419/DARUS-5009, DaRUS, V1
All primary data files for the journal paper are available here. The data is organized by characterization technique, and the measured materials are identified in the file names according to the nomenclature used in the paper. These data can be used to replicate the experiments, evaluate and compare the materials’ properties with others, and invest...
Publication data for: "Mesoporous Confinement Enables Activity Boost in Cooperative Asymmetric Catalysis in Analogy to Enzymes"
Apr 23, 2026 - SFB 1333 B6 - Peters group, IOC
Rautenbach, Liam; Nandeshwar, Muneshwar; Goldstein, Elizabeth; Högler, Marc; Häussler, Max; Allgaier, Alexander; Bauer, Alina; Hornung, Dominik; Beck, Alexander; Franke, Claudia; Osterbrink, Johanna; Bruckner, Johanna R.; Kästner, Johannes; Fischer, Felix Richard; Bauer, Matthias; van Slageren, Joris; Pleiss, Jürgen; Hansen, Niels; Buchmeiser, Michael; Peters, René, 2026, "Publication data for: "Mesoporous Confinement Enables Activity Boost in Cooperative Asymmetric Catalysis in Analogy to Enzymes"", https://doi.org/10.18419/DARUS-5388, DaRUS, V1, UNF:6:fOaEHbvASi6oGtKoZINPgA== [fileUNF]
This dataset contains research data for the publication "Mesoporous Confinement Enables Activity Boost in Cooperative Asymmetric Catalysis in Analogy to Enzymes". Content: 1) Experimental Catalysis, Material Characterization, and Spectroscopy Data 2) Kinetics and Kinetic Modeling Data 3) Molecular Dynamics (MD) Simulations Data 1) Experimental Cata...
Supplementary material to 'Machine Learning Prediction of Henry Coefficients of Polar and Nonpolar Gases in Covalent Organic Frameworks: Effects of Interlayer Shifts and Functionalization'
Apr 7, 2026 - Institute of Thermodynamics and Thermal Process Engineering
Nurhuda, Maryam; Teh, Tiong Wei; Packwood, Daniel; Hansen, Niels, 2026, "Supplementary material to 'Machine Learning Prediction of Henry Coefficients of Polar and Nonpolar Gases in Covalent Organic Frameworks: Effects of Interlayer Shifts and Functionalization'", https://doi.org/10.18419/DARUS-5781, DaRUS, V1, UNF:6:VGCNG6AIwbpDFjn2nWVA4w== [fileUNF]
Electronic supplementary materials for the publication stated below. Henry coefficients are calculated by Widom insertion (in RASPA 2.0.47). Contents: - Henry coefficients (CSV) - CoRE-COF original, slipped, and functionalized files (CIF) - RASPA input files.
Replication Data for: "Palladium Hydride Catalysts Confined in Silica Mesopores: Effects on Catalytic Enyne Cyclization"
Apr 2, 2026 - SFB 1333 C5 - Groß/ Hansen group, ITT
Wimmer, Erik Jasper; Högler, Marc, 2026, "Replication Data for: "Palladium Hydride Catalysts Confined in Silica Mesopores: Effects on Catalytic Enyne Cyclization"", https://doi.org/10.18419/DARUS-5129, DaRUS, V1, UNF:6:PRcvl3sxtPpN96tzjitc4Q== [fileUNF]
All primary data files of measurement and processed data of the journal article mentioned under related publications from Estes group and Hansen group can be found here. The data ist structured according to the material names and chapters with the following data types: NMR (Bruker, .mnova), Adsorption data (.pdf), TEM (.TIF), MD simulations
Replication data of A8 group for: "Development of a Copper-Free Click Reaction for Asymmetric Rh Diene Catalysis Under Confinement"
Mar 11, 2026 - SFB 1333 B3 - Laschat group, IOC
Kirchhof, Manuel; Krause, Sanja; Beurer, Ann-Katrin; Nguyen, Hoang-Huy; Frey, Wolfgang, 2026, "Replication data of A8 group for: "Development of a Copper-Free Click Reaction for Asymmetric Rh Diene Catalysis Under Confinement"", https://doi.org/10.18419/DARUS-5530, DaRUS, V1
All primary data files of measurements and processed data of the journal article mentioned under related publications from Laschat group can be found here. Data from collaborating groups can be found in a seperate data set. The data is structured according to figures and schemes in the research article.
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