41 to 50 of 268 Results
Aug 15, 2023 - SFB 1333 - Naumann group, IPOC-MSF
Buchmeiser, Michael; Imbrich, Dominik; Wang, Dongren; Naumann, Stefan, 2023, "Data for "Betainic and ionic tungsten (VI) imido alkylidene N-heterocyclic olefin complexes"", https://doi.org/10.18419/darus-3664, DaRUS, V1
This dataset provides 1H and 13C NMR raw data for the isolable catalysts W2, W5, W6 and W7 described in the publication "Betainic and ionic tungsten (VI) imido alkylidene N-heterocyclic olefin complexes". |
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 public... |
Aug 8, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Schwarz, Tim M.; Dietrich, Carolin; Ott, J.; Weikum, Erik; Lawitzki, Robert; Solodenko, Helena; Hadjixenophontos, Efi; Gault, Baptiste; Kästner, Johannes; Schmitz, Guido; Stender, Patrick, 2023, "Publication data for: "3D Sub-Nanometer Analysis of Glucose in an Aqueous Solution by Cryo-Atom Probe Tomography"", https://doi.org/10.18419/darus-1508, DaRUS, V1
All primary data files and processed data of the journal article. DFT calculations to the fragmentation of glucose cations to explain the peaks in the APT mass spectrum. Glucose with attached water molecules and glucose with fractions removed. Each directory contains the input an... |
Aug 7, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Klostermann, Sina V.; Kästner, Johannes, 2023, "Replication data of C4 group for: "Oxo-Bridged Zr dimers as well-defined models of oxygen vacancies on ZrO2"", https://doi.org/10.18419/darus-3259, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations. The folders are named according to the nomenclature in the publication. The Geometry Optimizations can be found in the folders "Opt" and the Single-point energ... |
Aug 4, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Gugeler, Katrin; Kästner, Johannes, 2023, "Replication data of Kästner group for: "Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis"", https://doi.org/10.18419/darus-3656, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations. Furthermore, the spreadsheet with the collected data is listed. The folders are named according to the nomenclature in the publication. All calculations were p... |
Aug 3, 2023 - SFB 1333 - Naumann group, IPOC-MSF
Markus, Felix; Bruckner, Johanna R.; Naumann, Stefan, 2023, "Data for "Controlled Synthesis of “Reverse Pluronic”-Type Block Copolyethers with High Molar Masses for the Preparation of Hydrogels with Improved Mechanical Properties"", https://doi.org/10.18419/darus-1814, DaRUS, V1
The data is structured according to tables (and specific table entries) and schemes in the research article and contains the following data types: NMR raw data, GPC raw data, rheology raw data (the latter two in the form of exported .txt-files). The NMR data can be used to calcul... |
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... |
Aug 3, 2023 - SFB 1333 A3 - Lotsch group, MPI-FKF
Emmerling, Sebastian; Maschita, Johannes; Lotsch, Bettina V., 2023, "Replication data for: "NO as a Reagent for Topochemical Framework Transformation and Controlled Nitric Oxide Release in Covalent Organic Frameworks"", https://doi.org/10.18419/darus-3002, DaRUS, V1
This dataset contains all data from analytical measurements including FT-IR and UV-Vis spectra, raw XRD patterns, 1H, 13C and 15N solution and ssNMR spectra, Ar, CO2, and NO sorption isotherms, pore-size distributions, TEM images, and Pawley structure refinements of the journal a... |
Aug 2, 2023 - SFB 1333 A3 - Lotsch group, MPI-FKF
Maschita, Johannes; Banerjee, Tanmnay; Lotsch, Bettina V., 2023, "Replication data of Lotsch group for: "Direct and Linker-Exchange Alcohol-Assisted Hydrothermal Synthesis of Imide-Linked Covalent Organic Frameworks"", https://doi.org/10.18419/darus-2777, DaRUS, V1, UNF:6:JpoGE3mNSdR4fNCRgNQIxQ== [fileUNF]
Covalent organic frameworks (COFs) are an extensively studied class of porous materials, which distinguish themselves from other porous polymers in their crystallinity and high degree of modularity, enabling a wide range of applications. However, the established synthetic protoco... |
Jul 28, 2023 - SFB 1333 - Naumann group, IPOC-MSF
Vogler, Charlotte, 2023, "Data for "A simplified approach for the metal-free polymerization of propylene oxide"", https://doi.org/10.18419/darus-1445, DaRUS, V1
NMR and GPC raw data of the polyethers prepared in this study are provided via this dataset. The data is organized according to Tables (and specific Table entries) as found in the paper. The NMR raw data allows for calculation of the average block lengths. GPC data provides infor... |
