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71 to 80 of 302 Results
Replication data of Kästner group for: "Understanding the Underlying Field Evaporation Mechanism of Pure Water Tips in High Electrical Fields"
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.
Replication Data for: Dopant-assisted stabilization of negatively charged single nitrogen-vacancy centers in phosphorus-doped diamond at low temperatures
Oct 11, 2023 - 3rd Physics Institute
Shalomayeva, Tetyana, 2023, "Replication Data for: Dopant-assisted stabilization of negatively charged single nitrogen-vacancy centers in phosphorus-doped diamond at low temperatures", https://doi.org/10.18419/DARUS-3734, DaRUS, V1, UNF:6:hxajGD1ljHHsxMwFLm1PZA== [fileUNF]
Datasets to reproduce all plots in the paper. Each spreadsheet (xls file) contains the horizontal and vertical data of every subfigure. The experimental data is collected using the low-temperature confocal microscope. The fluorescence of Nitrogen-Vacancy centers in phosphorus-doped diamond is detected under orange and resonant (red) laser excitatio...
Molecular simulation scripts for slit nanopores with tunable hydrophilicity
Oct 11, 2023 - NMR insights into nanoconfined water using the surface exchange model
Gravelle, Simon, 2023, "Molecular simulation scripts for slit nanopores with tunable hydrophilicity", https://doi.org/10.18419/DARUS-3732, DaRUS, V1
GROMACS molecular simulation input files for slit nanopores filled with liquid water. Initial configuration can be generated using the Python script build_system.py. Use the bash script run_gmx.sh to run GROMACS. See the README.md file.
Associated Research
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Oct 6, 2023SFB/Transregio 161 "Quantitative Methods for Visual Computing"
Replication Data for Neutral and Cationic Molybdenum Imido Alkylidene Cyclic Alkyl Amino Carbene (CAAC) Complexes for Olefin Metathesis
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
Data from Bill group for "Imaging the Permeability and Passivation Susceptibility of SiO2 Nanosphere-Based Mesoporous Supports for Molecular Heterogeneous Catalysis Under Confinement"
Data from Bill group for "Imaging the Permeability and Passivation Susceptibility of SiO2 Nanosphere-Based Mesoporous Supports for Molecular Heterogeneous Catalysis Under Confinement"
Oct 5, 2023 - SFB 1333 A5 - Bill group, IMW
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 used is the same as in the publication.
Replication data of Buchmeiser group for: "Ligand Variations in Neutral and Cationic Molybdenum Alkylidyne NHC Catalysts"
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) spectroscopy and the spectra can be found in NMR folder. The NMR folder als...
NMR insights into nanoconfined water using the surface exchange model(Universität Stuttgart)
Oct 1, 2023C01: A Lattice-Boltzmann investigation of two-phase electrolyte flow in porous structures with morphology alterations and tunable interfacial wetting behaviour
Molecular dynamics input scripts for GROMACS, and data analysis scripts in Python.
Replication Data for: Accessibility of Reactants and Neighborhood of Mo Species during Methane Aromatization Uncovered by Operando NAP-XPS and MAS NMR
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.
Reproduction Code for: On Reducing the Amount of Samples Required for Training of QNNs
Sep 27, 2023 - Quantum Computing @IAAS
Mandl, Alexander; Barzen, Johanna; Leymann, Frank; Mangold, Victoria; Riegel, Benedikt; Vietz, Daniel; Winterhalter, Felix, 2023, "Reproduction Code for: On Reducing the Amount of Samples Required for Training of QNNs", https://doi.org/10.18419/DARUS-3445, DaRUS, V1
Replication code for training Quantum Neural Networks using entangled datasets. This is the version of the code that was used to generate the experiment results in the related publication. For future developments and discussion see the Github repository. Experiments: avg_rank_exp.py: Experiments for training QNNs using training data of varying Schm...
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