61 to 70 of 171 Results
Jul 20, 2022 - SFB 1333 C6 - Holm group, ICP
Tischler, Ingo; Holm, Christian; Weeber, Rudolf; Kuron, Michael; Weik, Florian; Kaufmann, Robert, 2022, "Replication data of C6 group for: "A thermalized electrokinetics model including stochastic reactions suitable for multiscale simulations of reaction-advection-diffusion systems"", https://doi.org/10.18419/DARUS-2258, DaRUS, V1
All primary data files of measurements and processed data of the journal article mentioned under related publications from C6 group can be found here. The data is structured according to figures and schemes in the research article and contains the following data types: text files, .ipynb (jupyter notebooks), .py (python files) |
May 5, 2021 - SFB 1333 A4 - Traa group, ITC
Beurer, Ann-Katrin; Kirchhof, Manuel; Bruckner, Johanna R.; Dyballa, Michael, 2021, "Replication Data for: "Efficient and Spatially Controlled Functionalization of SBA-15 and Initial Results in Asymmetric Rh-Catalyzed 1,2-Additions under Confinement"", https://doi.org/10.18419/DARUS-1774, DaRUS, V1
The manuscript describes a method, which ensures a selective functionalization of the mesopore surface with a clickable linker and thus makes it possible to study confinement effects during catalyzed reactions. First, the silanol groups on the particle surface and in the pore entrances of the SBA-15 are passivated. By solvent extraction, the templa... |
Apr 13, 2021 - SFB 1333 C4 - Kästner group, ITheoC
Kästner, Johannes; Kesharwani, Manoj Kumar, 2021, "Publication data from the Simulation part for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-Ray, XAS, XES, DFT, Moessbauer and Catalysis Approach"", https://doi.org/10.18419/DARUS-1162, DaRUS, V1
All primary and processed data of the DFT calculation for the journal article. Each calculation (input and output files) is contained in one directory. |
Apr 13, 2021 - SFB 1333 C4 - Kästner group, ITheoC
Kästner, Johannes; Kesharwani, Manoj Kumar; Elser, Iris; Musso, Janis; Buchmeiser, Michael, 2021, "Publication data of the Simulations for: "Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst"", https://doi.org/10.18419/DARUS-1161, DaRUS, V1
All primary data files and processed data of the calculations contributing to the journal article. The input and output files of each case are given in one directory. |
Feb 21, 2022 - SFB 1333 B3 - Laschat group, IOC
Kirchhof, Manuel, 2022, "Replication data of B3 group for: "Interplay of Polarity and Confinement in Asymmetric Catalysis with Chiral Rh Diene Complexes in Microemulsions"", https://doi.org/10.18419/DARUS-2210, 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 and solvent dependent kinetics in dioxane and in microemulsions (Kinetiken) are liste... |
Jul 27, 2023 - SFB 1333 - Naumann group, IPOC-MSF
Walther, Patrick; Krauß, Annabelle; Naumann, Stefan, 2023, "Data for "Lewis Pair Polymerization of Epoxides via Zwitterionic Species as a Route to High‐Molar‐Mass Polyethers"", https://doi.org/10.18419/DARUS-1817, DaRUS, V1
A dual catalytic setup based on N‐heterocyclic olefins (NHOs) and magnesium bis(hexamethyldisilazide) (Mg(HMDS)2) was used to prepare poly(propylene oxide) with a molar mass (Mn) >500 000 g mol-1, in some cases even >106 g mol-1, as determined by GPC/light scattering. This is achieved by combining the rapid polymerization characteristics of a zwitt... |
Jan 19, 2023 - SFB 1333 C1 - Dyballa group, ITC
Rieg, Carolin; Dyballa, Michael, 2023, "Replication data of Dyballa 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-3306, DaRUS, V1
Solid-state NMR data of the journal article mentioned under related publications from the Dyballa group can be found here. Data from collaborating groups (A2, A4, B3, C4) can be found in separate data sets. |
Kirchhof, Manuel, 2024, "Replication data of B3 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-3547, DaRUS, V1, UNF:6:N+XAY3GC5dJdwFA2n/4lEA== [fileUNF]
In this dataset HPLC (high performance liquid chromatography) chromatograms of the products of the rhodium-catalyzed 1,2-addition and NMR (nuclear magnetic resonance) spectra of all prepared ligands, catalysts and catalysis products (NMR) are included. Furthermore, the excel sheets for kinetics as well as ICP-OES (inductively coupled plasma optical... |
Rieg, Carolin, 2021, "Publication data for: "Noble metal location in porous supports determined by reaction with phosphines - data from Dyballa group"", https://doi.org/10.18419/DARUS-1253, DaRUS, V1
Different phosphines (PR3, R= phenyl, 4-methoxyphenyl) are demonstrated to be useful probe molecules for the spatial location and quantification of noble metal (NM) atoms within mesoporous and microporous support materials, such as silica A200, mesoporous SBA-15, and different zeolites Y. For this purpose, the high NMR sensitivity of 31P nuclei (sp... |
Kirchhof, Manuel, 2022, "Data of B3 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-3272, 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 catalysts and catalysis products (NMR) are included. The described 1,2-addition product is an N-tosyl amide which was formed from the reaction of triphenylboroxine with an N-tosyl imine. T... |
