1 to 10 of 185 Results
May 23, 2025
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May 19, 2025 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Bhattacharya, Somnath; Atwi, Boshra; Kundu, Koushani; Frey, Wolfgang; Buchmeiser, Michael, 2025, "Replication data of Buchmeiser group for: Chromium(II)/(III) Complexes Bearing Phosphino-N-Heterocyclic Carbene and N-Chelating N-Heterocyclic Carbene Ligands and Their Use in Ethylene Oligomerization", https://doi.org/10.18419/DARUS-5053, DaRUS, V1
All primary data files associated with this publication, experimental procedures, reaction conditions and used analytical equipment can be found in detail in the experimental section or in the supporting information of the paper. Synthesized ligands (L1-L4) and and polymers (PEs) were characterized via nuclear magnetic resonance (NMR) spectroscopy... |
May 19, 2025 - SFB 1333 B3 - Laschat group, IOC
Noor, Sadia, 2025, "Replication data of A8 group for "Linker-Cluster Cooperativity in Confinement of Proline-Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction"", https://doi.org/10.18419/DARUS-5045, DaRUS, V1
In this study the combined theoretical and experimental approach Zr-UiO-67-MOFs with ortho-N-acylproline-functionalized biphenyl-dicarboxylate linkers were prepared and compared with the corresponding MOFs with regioisomeric meta-linkers is reported. All primary data files of measurements and processed data of the journal article mentioned under re... |
May 14, 2025 - SFB 1333 A3 - Lotsch group, MPI-FKF
Hosseini Yazdeli, Seyed Pouya; Rodríguez-Camargo, Andrés; Jiang, Yiqun; Zhang, Siyuan; Scheu, Christina; Yao, Liang; Lotsch, Bettina V.; Tschulik, Kristina, 2025, "Replication data for: "Shedding Light on the Active Species in a Cobalt-Based Covalent Organic Framework for the Electrochemical Oxygen Evolution Reaction"", https://doi.org/10.18419/DARUS-4835, DaRUS, V1
All primary and processed data of the journal article can be found here. The data is structured according to analytical techniques. The material measured is described in a file name. The dataset includes only experimental data and no simulational data. The measurement methods are described in the SI of the journal article. The data can be used to r... |
May 14, 2025 - SFB 1333 A3 - Lotsch group, MPI-FKF
Rodríguez-Camargo, Andrés; Terban, Maxwell; Paetsch, Martina; Rico, Elio; Graf, Daniel; Hirpara, Radhika; Duppel, Viola; Moudrakovski, Igor; Etter, Martin; Guijarro, Néstor; Ochsenfeld, Christian; Dinnebier, Robert; Yao, Liang, 2025, "Replication data for: Cyclopalladation of a Covalent Organic Framework for Near-Infrared Light-Driven Photocatalytic Hydrogen Peroxide Production", https://doi.org/10.18419/DARUS-4626, DaRUS, V1
All primary and processed data of the journal article can be found here. The data is structured according to analytical techniques. The material measured is described in a file name. The dataset includes only experimental data and no simulational data. The measurement methods are described in the SI of the journal article. The data can be used to r... |
Apr 23, 2025 - SFB 1333 - Pluhackova Group, SimTech
Kolin, Sofia; Pluhackova, Kristyna, 2025, "Supplementary Information to "Linker-Cluster Cooperativity in Confinement of Proline- Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction"", https://doi.org/10.18419/DARUS-4834, DaRUS, V1
Files and structures for performing all-atom molecular dynamics simulations of UiO-67 and UiO-67-based structures filled with Methanol and reactant and product molecules. |
Apr 14, 2025 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Altus, Kristof; Shi, Yiping; Probst, Patrick; Heaton, Jack Harry; Gyton, Matthew; Lari, Leonardo; Buchmeiser, Michael; Dyer, Philip; Weller, Andrew, 2025, "Replication data of Buchmeiser group for: "Room Temperature Ethene to Propene (ETP) Tandem Catalysis using Single Crystalline Solid-State Molecular Pre-Catalysts"", https://doi.org/10.18419/DARUS-4762, DaRUS, V1, UNF:6:HJDnGFkI2XGMd/er6VApXQ== [fileUNF]
NMR data for the complex 3[BArF4] from the paper as well as a cross metathesis product are reported, as this was our share of the paper. all data are deposited as csv and therefore should be machine readable. |
Mar 13, 2025
Wimmer, Erik J., 2025, "Replication data of Estes group for: "Oxo-Bridged Zr Dimers as Well-defined Models of Oxygen Vacancies on ZrO2"", https://doi.org/10.18419/DARUS-3569, DaRUS, V1
The data is provided for experimental and analysis work done except computational calculations. All primary data files of measurements and processed data of the journal article mentioned under related publications from Estes group can be found here. Data from collaborating groups can be found in a seperate data set. The data is structured according... |
Mar 5, 2025 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Kundu, Koushani; Buchmeiser, Michael, 2025, "Replication Data for: Origin of Stereoselectivity in Ring Opening Metathesis Polymerization with Cationic Molybdenum Imido Alkylidene CAAC Complexes", https://doi.org/10.18419/DARUS-4791, DaRUS, V1
This dataset includes the NMR (1H, 19F and 13C) of the novel catalysts used in this article, the single crystal X-ray structure of a catalyst, and the proton NMR of the polymers. |
Feb 14, 2025 - Institute of Thermodynamics and Thermal Process Engineering
Spera, Marcelle; Darouich, Samir; Pleiss, Jürgen; Hansen, Niels, 2025, "Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"", https://doi.org/10.18419/DARUS-4483, DaRUS, V1
This dataset contains force field files in GROMACS format accompanying the mentioned publication. The topology file is given for one specific composition and can be adapted by changing the number of molecules in the '[ molecules ]' block. The numerical data of all calculated thermophysical properties is provided in the XML-based IUPAC standard for... |
