61 to 70 of 302 Results
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... |
Oct 31, 2023 - EXC IntCDC Research Project 1 'Functionally Graded Concrete Building System – Design, Optimisation, Digital Production and Reuse'
Teichmann, Alexander; Strahm, Benedikt; Garrecht, Harald; Blandini, Lucio, 2023, "Compressive strength measurement data of concrete samples", https://doi.org/10.18419/DARUS-3753, DaRUS, V1
Raw Data on the compressive strength measurements of concrete samples that have been evaluated as follows: The goal is to investigate the influence of different mixing approaches on the compressive strength of four distinct concrete mixtures. Compressive strength is a critical property that directly impacts the structural performance of concrete. T... |
Oct 25, 2023Cluster of Excellence Integrative Computational Design and Construction for Architecture (EXC IntCDC)
RP23-1: Durability of Timber Softwood/Hardwood Composite Systems |
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 for the mechanistic studies *NMR spectra of the air-stability tests |
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 input-files are named "*.chm" and the output-files are named "out". |
Oct 19, 2023 - SFB 1333 A3 - Schlaich group, ICP
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 charged hard walls determined via classical density functional theory l... |
Oct 19, 2023Cluster of Excellence Integrative Computational Design and Construction for Architecture (EXC IntCDC)
RP1-1: Co-design of functionally graded concrete building system. RP1-2: Functionally graded concrete building system – design, optimisation, digital production and reuse. |
Oct 17, 2023 - 2022_DFG_IKEPa
Reichenbach, Thomas; Trautwein, Felix; Pott, Andreas; Verl, Alexander, 2023, "Measurement data for: Development of a Cable Actuator Test Rig for Identification of Dynamic Running Properties of Synthetic Fiber Ropes", https://doi.org/10.18419/DARUS-3600, DaRUS, V1
Measurement data and analysis scripts to investigate slip and friction effects of running synthetic fiber ropes. All measurements data is provided in the folder "Data" in form of csv files. Additionally, the motion profile is stored as nc file. The data is structured according to the directory names; "WF" stands for applied cable forces and "F" for... |
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) spectroscopy and the spectra can be found in NMR folder. The NMR folder als... |