51 to 60 of 169 Results
Aug 3, 2023 - SFB 1333 - Naumann group, IPOC-MSF
Markus, Felix; Vogler, Charlotte; Bruckner, Johanna R.; Naumann, Stefan, 2023, "Data for "Ordered Mesoporous Carbons via Self-Assembly of Tailored Block Copolyethers for Pore Size-Dependent Applications"", https://doi.org/10.18419/DARUS-1827, DaRUS, V1
Data for "Ordered Mesoporous Carbons via Self-Assembly of Tailored Block Copolyethers for Pore Size-Dependent Applications" is reported. The data is structured according to polymer sample identifiers in the research article and contains the following data types: NMR raw data, GPC (SEC) raw data, gas sorption (N2) data, SAXS raw data. The data is fu... |
Aug 11, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2023, "Replication Data of Kästner group for: "Determination of Accessibility and Spatial Distribution of Chiral Rh Diene Complexes Immobilized on SBA-15 via Phosphine‑based NMR Probe Molecules"", https://doi.org/10.18419/DARUS-3310, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and the conformational sampling. Furthermore, the spreadsheet with the collected data is listed. The folders are named similar to the nomenclature in the publication. All calculations were performed in Turbomole via Chemshell and... |
Oct 31, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2023, "Replication data of Kästner group for: "Tethering chiral Rh diene complexes inside mesoporous solids: experimental and theoretical study of substituent, pore and linker effects on asymmetric catalysis"", https://doi.org/10.18419/DARUS-3561, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and files from the conformational sampling. Furthermore, the spreadsheet with the collected data and the figures with the visualizations of the structures are listed. All structures are named "geom_opt.xyz", all input-files "*.chm... |
Apr 14, 2021 - SFB 1333 C4 - Kästner group, ITheoC
Dietrich, Carolin; Schuldt, Robin; Born, Daniel; Solodenko, Helena; Schmitz, Guido; Kästner, Johannes, 2021, "Publication data for: "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" - data from Kästner group", https://doi.org/10.18419/DARUS-1459, DaRUS, V1
All primary data files and processed data of the journal article from Kästner group. Turbomole input and output files for all calculations used in the paper, one directory per case. |
Jun 4, 2024 - SFB 1333 A7 - 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. |
May 3, 2021 - SFB 1333 B3 - Laschat group, IOC
Deimling, Max; Kirchhof, Manuel, 2021, "Catalysis Data and NMR Characterization of all Compounds for "Asymmetric Catalysis in Liquid Confinement: Probing the Performance of Novel Chiral Rhodium-Diene Complexes in Microemulsions and Conventional Solvents"", https://doi.org/10.18419/DARUS-1426, DaRUS, V1
In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR spectra of all prepared ligands, catalysts and catalysis products (NMR) are included. Furthermore, the NMR data of temperature dependent kinetics in dioxane and in the microemulsion (Kinetiken) are listed. |
Apr 19, 2021 - SFB 1333 B3 - Laschat group, IOC
Kirchhof, Manuel, 2021, "Catalysis Data and NMR Characterization of all Compounds for "Experimental and Theoretical Study on the Role of Monomeric vs Dimeric Rhodium Oxazolidinone Norbornadiene Complexes in Catalytic Asymmetric 1,2- and 1,4-Additions"", https://doi.org/10.18419/DARUS-1250, DaRUS, V1
In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and the respective examinations of the nonlinear and nonlinear-like effect (HPLC 1.2-Addition; HPLC-Messungen NLE und NLLE) and gas chromatograms of the products of the rhodium-catalyzed 1,4-addition (GC-Analytik) are li... |
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... |
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 spectra are structured according to the chapters of the research article in... |
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... |
