51 to 60 of 189 Results
Benz, Michael, 2024, "Data for Hydrogen Spillover through Hydride Transfer: The Reaction of ZnO and ZrO2 with Strong Hydride Donors", https://doi.org/10.18419/DARUS-4263, DaRUS, V1, UNF:6:/prwO0mYU07zXPJebhlu5A== [fileUNF]
The data set contains TEM images, XAS data, EPR data, MAS NMR data and NMR data of zinc oxide and zirconium oxide samples before and after treatment with molecular metal hydrides. |
Nov 20, 2024 - SFB 1333 A3 - Lotsch group, MPI-FKF
Endo, Kenichi; Canossa, Stefano; Heck, Fabian; Proserpio, Davide M.; Istek, Muhammed Satukbugra; Stemmler, Friedrich; van Slageren, Joris; Hartmann, Sean; Hartschuh, Achim; Lotsch, Bettina V., 2024, "Replication Data for: "Crystalline porous frameworks based on double extension of metal-organic and covalent organic linkages"", https://doi.org/10.18419/DARUS-4566, DaRUS, V1, UNF:6:3yz8QuVP+bonrBlRSFRwJw== [fileUNF]
All primary data files of the journal article mentioned can be found here. The data is structured by materials. The characterization data of each material are located in the subfolders "MOCOF-1", "MOCOF-1-R2", "MOCOF-2", "MOCOF-3", "COF-366-Co", "[Co(tapp)]nXn", "Co(tdpp)", "Co(tapp)", "Co(tdpp)(pba)2(OTf)", and "Others". The characterization data... |
Nov 12, 2024 - SFB 1333 B3 - Laschat group, IOC
Stöckl, Yannick, 2024, "Replication data of B3 group for: “Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2 Type Mechanism”", https://doi.org/10.18419/DARUS-4071, DaRUS, V1
In this dataset all HPLC (high performance liquid chromatography) chromatograms and NMR spectra of O,N- and C,N-chelates, intermediates, ate-complexes and borates of the SN2-type addition can be found. Data from collaborating groups can be found in a seperate data set. The NMR spectra is structured according to the chapters of the research article... |
Nov 11, 2024 - SFB 1333 - Estes group, ITC
Wimmer, Erik J., 2024, "Replication data of Estes group for: Reversible Oxidative Additions of Weak Acids to Pd(0) Complexes: "Effects on PdH Catalyzed Enyne Cycloisomerization"", https://doi.org/10.18419/DARUS-3786, DaRUS, V1
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 (mainly NMR data) is structured via the names of used acids and Pd catalysts discussed in the publication. Additionally, a script for kinetic data modelling is added. Data types: Bruker-N... |
Nov 4, 2024 - Institute of Thermodynamics and Thermal Process Engineering
Högler, Marc; Hansen, Niels, 2024, "Supplementary material for "The Effects of Surfaces and Confinement on Formic Acid Dehydrogenation Catalyzed by an Immobilized Ru-H Complex: Insights from Molecular Simulation and Neutron Scattering"", https://doi.org/10.18419/DARUS-3584, DaRUS, V1, UNF:6:UUPJqhG8eXR2naMF0KSYGQ== [fileUNF]
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory mdp) are provided for bulk simulations of pure dioxane and formic acid as well as mixture of both in pore and bulk simulation. The pore simulation is divided into three steps, an energ... |
Jul 29, 2024 - SFB 1333 A3 - Lotsch group, MPI-FKF
Koschnick, Charlotte; Terban, Maxwell; Canossa, Stefano; Etter, Martin; Dinnebier, Robert; Lotsch, Bettina V., 2024, "Replication Data for: "Influence of Water Content on Speciation and Phase Formation in Zr–Porphyrin-Based MOFs"", https://doi.org/10.18419/DARUS-4423, DaRUS, V1, UNF:6:/bekFhWZIFrCKtltofEuxQ== [fileUNF]
All primary data files of the journal article mentioned can be found here. The data is structured by the measurement techniques in the subfolders "PXRD", "TGA", "NMR", "PDF", and "Sorption". The characterization data are recorded experimentally. The characterization data can be used to replicate the experiments and to evaluate and compare the mater... |
Jul 8, 2024 - Institute of Thermodynamics and Thermal Process Engineering
Grunenberg, Lars; Kessler, Christopher; Teh, Tiong Wei; Schuldt, Robin; Heck, Fabian; Kästner, Johannes; Gross, Joachim; Hansen, Niels; Lotsch, Bettina V., 2024, "Supplementary material for 'Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment'", https://doi.org/10.18419/DARUS-3269, DaRUS, V1, UNF:6:vHsUiLwzEUUMiOsYM8xu+Q== [fileUNF]
This dataset contains input files and results from Grand Canonical Monte Carlo (GCMC) adsorption simulation and Molecular Dynamics (MD) Simulation. All data is presented in a jupyter notebook and for a fast overview without executing the notebook also as PDF-file. Furthermore the dataset contains the modified cif files of COF PI-3, including partia... |
Jun 4, 2024 - SFB 1333 C08 - Sottmann group, IPC
Abitaev, Karina; Qawasmi, Yaseen; Atanasova, Petia; Dargel, Carina; Hellweg, Thomas; Sottmann, Thomas, 2024, "Data for 'Adjustable polystyrene nanoparticle templates for the production of mesoporous foams and ZnO inverse opals'", https://doi.org/10.18419/DARUS-1318, DaRUS, V1, UNF:6:/IY2+trZ//ZuAD6JQ/aUHQ== [fileUNF]
All processed data files of the journal article "Adjustable polystyrene nanoparticle templates for the production of mesoporous foams and ZnO inverse opals" from the Sottmann group. |
Kousik, Shravan R., 2024, "Replication Data for: A Complementary Experimental and Theoretical Approach for Probing the Surface Functionalization of ZnO with Molecular Catalyst Linkers", https://doi.org/10.18419/DARUS-3840, DaRUS, V3
This dataset contains raw and processed data corresponding to all the atomic force microscopy (AFM), scanning electron microscopy (SEM), polarization-modulation infrared reflection absorption spectroscopy (PM-IRRAS), angle-resolved, and temperature-dependent X-ray photoelectron spectroscopy (XPS) measurements. Data from collaborating groups can be... |
May 15, 2024 - SFB 1333 A3 - Lotsch group, MPI-FKF
Stähler, Cosima; Grunenberg, Lars; Terban, Maxwell; Browne, Wesley; Doellerer, Daniel; Kathan, Michael; Etter, Martin; Lotsch, Bettina V.; Feringa, Ben; Krause, Simon, 2024, "Replication Data for: "Light-driven molecular motors embedded in covalent organic frameworks"", https://doi.org/10.18419/DARUS-3961, DaRUS, V1, UNF:6:oxtqmyas9B6JNfvm6edQXA== [fileUNF]
The incorporation of molecular machines into the backbone of porous framework structures will facilitate nano actuation, enhanced molecular transport, and other out-of-equilibrium host–guest phenomena in well-defined 3D solid materials. In this work, we detail the synthesis of a diamine-based light-driven molecular motor and its incorporation into... |
