All primary data files of published research from CRC 1333, e.g. from journal articles.
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121 to 130 of 227 Results
Replication Data for: A screening of results on the decay length in concentrated electrolytes
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.
Replication Data for: "A flavin-inspired covalent organic framework for photocatalytic alcohol oxidation"
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...
SFB 1333 C3 - Schmitz, IMW(Universität Stuttgart)
Jul 13, 2023
In this dataverse you can find all research data related to publications of the group generated within the context of CRC 1333.
SFB 1333 INF - Pleiss, Hansen, Endo(Universität Stuttgart)
Jul 13, 2023
In this dataverse you can find all research data related to publications of the project INF of CRC 1333.
SFB 1333 - Pluhackova Group, SimTech(Universität Stuttgart)
Jul 12, 2023
In this dataverse you can find all research data related to publications of the research groupt generated within the context of CRC 1333.
Supplementary Material for 'Entropic barrier of water permeation through single-file channels'
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...
Replication data of Buchmeiser group for: "Stereoselective Ring-Opening Metathesis Polymerization with Tungsten Sulfido Alkylidene N-Heterocyclic Carbene Complexes"
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...
SFB 1333 A3 - Schlaich group, ICP(Universität Stuttgart)
Jun 15, 2023
Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems
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...
Replication data for: "Comparative study of lattice parameter and pore size of ordered mesoporous silica materials using physisorption, SAXS measurements and transmission electron microscopy"
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....
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