1 to 10 of 175 Results
Feb 7, 2025 - SFB 1333 - Pluhackova Group, SimTech
Kolin, Sofia; Marquardt, Moritz G.; Fläschner, Gotthold; 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, V2
Files and structures for performing and analysing coarse-grained molecular dynamics simulations of solvent diffusion through nanoporous carbon materials. |
Feb 7, 2025 - SFB 1333 B3 - Laschat group, IOC
Kirchhof, Manuel, 2025, "Replication data of B3 group for "Diethylaluminium Chloride-Mediated Cycloaddition/Conjugate Reduction Sequence towards Imido-Substituted Norbornenes"", https://doi.org/10.18419/DARUS-4745, DaRUS, V1
A Et2AlCl-promoted sequential cycloaddition / conjugate hydrogenation of cyclopentadiene and 4-isopropyl-3-(3-phenylpropioloyl)oxazolidin-2-one resulting in the clean formation of the corresponding norbornene-oxazolidin-2-one is reported. All primary data files of measurements an... |
Feb 3, 2025 - SFB 1333 C4 - Kästner group, ITheoC
Haid, Severin; Kästner, Johannes, 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-4734, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and preceding CREST calculations for the first monomer along the mechanism described in the referenced paper. The calculations for each system can be found in the directory named after the m... |
Jan 24, 2025 - SFB 1333 A3 - Lotsch group, MPI-FKF
Heck, Fabian; Grunenberg, Lars; Schnabel, Nadine; Heilmaier, Amelie; Sottmann, Thomas; Yao, Liang; Lotsch, Bettina V., 2025, "Replication Data for: Solvothermal Template-Induced Hierarchical Porosity in Covalent Organic Frameworks: A Pathway to Enhanced Diffusivity", https://doi.org/10.18419/DARUS-4732, DaRUS, V1, UNF:6:kRg62d64Phs8P951Y488lA== [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 chronoamperometry (CA) and cyclic voltammetry (CV) data are located in the "Electrochemistry" folder... |
Jan 16, 2025 - Institute of Thermodynamics and Thermal Process Engineering
Högler, Marc; Kobayashi, Takeshi; Kraus, Hamzeh; Atwi, Boshra; Buchmeiser, Michael; Fyta, Maria; Hansen, Niels, 2025, "Supplementary material for "Influence of Ionic Liquid Film Thickness and Flow Rate on Macrocyclization Efficiency and Selectivity in Supported Ionic Liquid-Liquid Phase Catalysis"", https://doi.org/10.18419/DARUS-4063, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication as well as GC-MS and NMR data. We recommend viewing the data by choosing the option "tree". |
Dec 13, 2024 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Nandeshwar, Muneshwar; Weisser, Kilian; Buchmeiser, Michael; Ziegler, Felix, 2024, "Replication Data for: "The Role of Spacer Length in Macrocyclization Reactions Under Confinement"", https://doi.org/10.18419/DARUS-4646, 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 the paper's supporting information. Synthesized complexes (Mo1-Mo7) and macrocyclization were... |
Dec 5, 2024 - SFB 1333 - Estes group, ITC
Wimmer, Erik J., 2024, "Replication Data for: "Structural Characterization of Surface Immobilized Platinum Hydrides by Sensitivity-Enhanced 195Pt Solid State NMR Spectroscopy and DFT Calculations"", https://doi.org/10.18419/DARUS-4580, 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. Data from collaborating groups can be found in a seperate data set. The data is structured according to figures and schemes in... |
Dec 3, 2024 - SFB 1333 B2 - Tallarek group
Böth, André; Roider, Thomas; Ziegler, Felix, 2024, "Data for: Olefin Metathesis under Spatial Confinement and Continuous Flow: Investigation of Isomeric Side Reactions with a Grubbs-Hoveyda Type Catalyst", https://doi.org/10.18419/DARUS-3784, DaRUS, V1
Olefin Metathesis under Spatial Confinement and Continuous Flow: We study olefin metathesis with a focus on isomers formed as by-products. For that purpose, a 2D-LC/MS system is implemented, showing decisive advantages over common 1H NMR analysis. As a consequence, it became poss... |
Dec 2, 2024 - SFB 1333 B3 - Laschat group, IOC
Marshall, Max; Dilruba, Zarfishan, 2024, "Replication Data of B3 for: "Asymmetric Rh Diene Catalysis under Confinement: Isoxazole Ring-Contraction in Mesoporous Solids"", https://doi.org/10.18419/DARUS-4527, DaRUS, V1
In this dataset HPLC (high performance liquid chromatography) chromatograms and NMR (nuclear magnetic resonance) spectra of all newly prepared ligands, catalysts and catalysis products are included. Data from collaborating groups can be found in a seperate data set. The NMR spect... |
Nov 26, 2024 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2024, "Replication Data of Kästner group for: "Chirality Transfer of Stereogenic Boron Centers Enabled by a SN2-Type Mechanism"", https://doi.org/10.18419/DARUS-4048, DaRUS, V1
In this dataset, all optimized geometries from the calculations are listed. The files are given in xyz-format. |