111 to 120 of 197 Results
Jul 19, 2023 - SFB 1333 A3 - Lotsch group, MPI-FKF
Gottschling, Kerstin; Savasci, Gökcen; Vignolo-González, Hugo A.; Schmidt, Sandra; Mauker, Philipp; Banerjee, Tanmay; Rovó, Petra; Ochsenfeld, Christian; Lotsch, Bettina V., 2023, "Replication data of Lotsch group for: "Rational Design of Covalent Cobaloxime-Covalent Organic Framework Hybrids for Enhanced Photocatalytic Hydrogen Evolution"", https://doi.org/10.18419/DARUS-1816, DaRUS, V1
All primary data files of measurements and processed data of the journal article mentioned under related publications from Lotsch group can be found here. This dataset contains all data from analytical measurements including Brunauer-Emmett-Teller (BET) analysis plots, NMR, FT-IR, SEM, UV-vis absorption, PL, PXRD and photocatalysis of the journal a... |
Jul 19, 2023 - SFB 1333 A3 - Schlaich group, ICP
Jäger, Henrik, 2023, "Replication Data for: A screening of results on the decay length in concentrated electrolytes", https://doi.org/10.18419/DARUS-3551, DaRUS, V1
This is the repository holding the inputs for atomistic Molecular Dynamics Simulations of nano-confined mica slabs as well as the outputs for cDFT calculations. Also, scripts for input generation and all analysis tools used are See the README file for more information. |
Jul 18, 2023 - SFB 1333 A3 - Lotsch group, MPI-FKF
Trenker, Stefan; Grunenberg, Lars; Banerjee, Tanmay; Savasci, Gökcen; Poller, Laura M.; Muggli, Katharina I. M.; Haase, Frederik; Ochsenfeld, Christian; Lotsch, Bettina, 2023, "Replication Data for: "A flavin-inspired covalent organic framework for photocatalytic alcohol oxidation"", https://doi.org/10.18419/DARUS-2244, DaRUS, V1
Covalent organic frameworks (COFs) offer a number of key properties that predestine them to be used as heterogeneous photocatalysts, including intrinsic porosity, long-range order, and light absorption. Since COFs can be constructed from a practically unlimited library of organic building blocks, these properties can be precisely tuned by choosing... |
Jun 30, 2023 - PN 3-11
Wachlmayr, Johann; Fläschner, Gotthold; Pluhackova, Kristyna; Sandtner, Walter; Siligan, Christine; Horner, Andreas, 2023, "Supplementary Material for 'Entropic barrier of water permeation through single-file channels'", https://doi.org/10.18419/DARUS-3390, DaRUS, V1
Facilitated water permeation through narrow biological channels is fundamental for all forms of life. This process involves dehydration of bulk water entering the single-file region and hydrogen bond formation with channel lining amino acid residues. Despite its significance in health and disease as well as for biotechnological applications the ene... |
Jun 27, 2023 - SFB 1333 A1+B2 - Buchmeiser group, IPOC-MSF
Buchmeiser, Michael; Probst, Patrick; Wang, Dongren; Hauser, Philipp, 2023, "Replication data of Buchmeiser group for: "Stereoselective Ring-Opening Metathesis Polymerization with Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"", https://doi.org/10.18419/DARUS-3567, DaRUS, V1
This dataset includes NMR (nuclear magnetic resonance) data as raw data files, GPC (gel permeation chromatography) data as ASCII reports, and DSC (differential scanning calorimetry) data as PDF files of poly((+)-DCMNBE) prepared by the action of tungsten initiators W1-10 used for the publication. A depiction of the monomer as well as the complexes... |
May 26, 2023 - Materials Design
Gubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew; Kästner, Johannes; Grabowski, Blazej, 2023, "Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems", https://doi.org/10.18419/DARUS-3516, DaRUS, V1
Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the datasets of structures in cfg and npz formats INCAR file which was used for VASP calculations python script for reading npz format These are essentially the 2-, 3-, and 4-componen... |
Apr 26, 2023 - SFB 1333 A4 - Bruckner group
Beurer, Ann-Katrin; Dieterich, Sonja; Solodenko, Helena; Kaya, Elif; Merdanoǧlu, Naǧme; Schmitz, Guido; Traa, Yvonne; Bruckner, Johanna R., 2023, "Replication data for: "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy"", https://doi.org/10.18419/DARUS-3348, DaRUS, V1
All primary data files of measurements and processed data of the journal article "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy", are deposited. File types which are not easily readable have been converted to other formats, i.e.... |
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. |
Dec 13, 2022 - SFB 1333 B3 - Laschat group, IOC
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... |
Aug 27, 2022 - SFB 1333 C1 - Dyballa group, ITC
Rieg, Carolin; Dittmann, Daniel; Li, Zheng; Kurtz, Alan; Kaya, Elif; Peters, Stefan; Kunkel, Benny; Parlinska-Wojtan, Magdalena; Wohlrab, Sebastian; Abdel-Mageed, Ali; Dyballa, Michael, 2022, "Publication data of Dyballa group for: "Introducing a Novel Method for Probing Accessibility, Local Environment and Spatial Distribution of Oxidative Sites on Solid Catalysts using Trimethylphosphine"", https://doi.org/10.18419/DARUS-2992, DaRUS, V1
Primary data files of measurements and processed data of the journal article mentioned under related publications from Dyballa group can be found here. This comprises MAS-NMR, ICP-OES, N2-Physisorption (Brunauer-Emmett-Teller method; BET), XRD, and STEM data. The STEM images are stored in the folder "STEM". |
