11 to 20 of 151 Results
Oct 24, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Musso, Janis; Gramm, Vincent; Stein, Sarjano; Frey, Wolfgang; Buchmeiser, Michael, 2023, "Replication data of the Buchmeiser group for: "Molybdenum Alkylidyne Silyloxy N-Heterocyclic Carbene Complexes - Highly Active Alkyne Metathesis Catalysts that can be Handled in Air"", https://doi.org/10.18419/darus-3267, DaRUS, V1
All primary data files of measurements and processed data of the journal article mentioned under related publications from the Buchmeiser group can be found here. The data consist of: *Processed (mestrenova) and unprocessed (fid-files) NMR spectra of novel compunds *NMR spectra f... |
Oct 19, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Klostermann, Sina; Kästner, Johannes, 2023, "Replication data of Kästner group for: "How Solid Surfaces Control Stability and Interactions of Supported Cationic Cu^I(dppf) Complexes - A Solid-State NMR Study"", https://doi.org/10.18419/darus-3668, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and solid-state NMR calculations. The folders with the data are named similar to the nomenclature in the publication. All structures are named "*.xyz" and the i... |
Yang, Jie; Kondrat, Svyatoslav; Lian, Cheng; Liu, Honglai; Schlaich, Alexander; Holm, Christian, 2023, "Replication Data for: Solvent Effects on Structure and Screening in Confined Electrolytes", https://doi.org/10.18419/darus-3743, DaRUS, V1, UNF:6:KtlgApor9/WXUtTKp63TBw== [fileUNF]
This is the repository holding the data and python scripts we used for creating the corresponding figures in the publication. Tabular files include the ion and solvent (for solvent-explicit simulations) densiies for a hard-sphere primitive electrolyte model confined between two c... |
Oct 12, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Acikalin, Hande; Panyam, Pradeep Kumar Reddy; Shaikh, Wasif; Wang, Dongren; Kousik, Shravan R.; Atanasova, Petia; Buchmeiser, Michael, 2023, "Replication Data for: Hydrosilylation of Alkynes Under Continuous Flow Using Polyurethane-Based Monolithic Supports with Tailored Mesoporosity", https://doi.org/10.18419/darus-3733, DaRUS, V1
All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spect... |
Oct 12, 2023 - SFB 1333 C4 - Kästner group, ITheoC
Segreto, Nico; Kästner, Johannes, 2023, "Replication data of Kästner group for: "Understanding the Underlying Field Evaporation Mechanism of Pure Water Tips in High Electrical Fields"", https://doi.org/10.18419/darus-3693, DaRUS, V1
In this dataset, all simulation data are listed. That includes all geometry optimized structures as xyz-files and all input-files for the calculations as chm-files. |
Oct 5, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Kundu, Koushani; Buchmeiser, Michael, 2023, "Replication Data for Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis", https://doi.org/10.18419/darus-3697, DaRUS, V1
The files include the NMR data of the novel complexes and cif files of the single crystal X-ray structure of selected structures. Experimental details could be found in the supporting information of the related paper |
Kousik, Shravan R., 2023, "Data from Bill group for "Imaging the Permeability and Passivation Susceptibility of SiO2 Nanosphere-Based Mesoporous Supports for Molecular Heterogeneous Catalysis Under Confinement"", https://doi.org/10.18419/darus-3312, DaRUS, V1, UNF:6:CUS1u5MtcyPbcyvMcJetJw== [fileUNF]
This dataset contains files in relation to the figures appearing in the journal article and supporting information. Experimental schemes, Confocal Laser Scanning Microscopy (CLSM), Transmission Electron Microscopy (TEM) images and physisorption data are provided. The labeling use... |
Oct 4, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Groos, Jonas; Koy, Maximilian; Musso, Janis; Neuwirt, Michael; Pham, Thao; Hauser, Philipp Manuel; Frey, Wolfgang; Buchmeiser, Michael, 2023, "Replication data of Buchmeiser group for: "Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts"", https://doi.org/10.18419/darus-3701, DaRUS, V1
All primary data files related to the publication. Procedures, recation conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Novel complexes were examined via nuclear magnetic resonance (NMR) spect... |
Sep 29, 2023 - Dyballa Group
Dyballa, Michael, 2023, "Replication Data for: Accessibility of Reactants and Neighborhood of Mo Species during Methane Aromatization Uncovered by Operando NAP-XPS and MAS NMR", https://doi.org/10.18419/darus-3730, DaRUS, V1
Original data (Catalytic measurements, Characterization) of the journal article mentioned under related publications from the Dyballa group can be found here. See File Documentation.txt for a mapping between the figures of the publication and the files in the dataset. |
Sep 21, 2023 - Molecular Simulation
Kraus, Hamzeh; Högler, Marc; Hansen, Niels, 2023, "Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'", https://doi.org/10.18419/darus-3067, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for bulk phase simulations as well as for pore simulations with 14 different compounds. The pore simulations are... |
