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Subject: Chemistry Publication Year: 2023

71 to 75 of 75 Results

Traa Group(Universität Stuttgart) Feb 3, 2023Institute of Technical Chemistry
Institute of Technical Chemistry(Universität Stuttgart) Feb 3, 2023
From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics Feb 2, 2023 - EnzymeML Häußler, Max, 2023, "From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics", https://doi.org/10.18419/darus-3337, DaRUS, V1 Master thesis in the form of a JupyterBook with the title: "From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics" JupyterBook can be accessed via: https://haeussma.github.io/masterthesis/welcome.html Goal of the thesis was the developme...
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" 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.
Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Jan 11, 2023 - Materials Design Jung, Jong Hyun; Srinivasan, Prashanth; Forslund, Axel; Grabowski, Blazej, 2023, "Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials", https://doi.org/10.18419/darus-3239, DaRUS, V1 Data for the publication High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials, npj Comput. Mater., DOI: 10.1038/s41524-022-00956-8 (2023) This data set contains - the training sets (VASP files), - the low mom...

Traa Group(Universität Stuttgart)

Feb 3, 2023Institute of Technical Chemistry

Institute of Technical Chemistry(Universität Stuttgart)

Feb 3, 2023

From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics

Feb 2, 2023 - EnzymeML

Häußler, Max, 2023, "From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics", https://doi.org/10.18419/darus-3337, DaRUS, V1

Master thesis in the form of a JupyterBook with the title: "From raw data to kinetic parameters: an EnzymeML-based workflow for reproducible enzyme kinetics" JupyterBook can be accessed via: https://haeussma.github.io/masterthesis/welcome.html Goal of the thesis was the developme...

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"

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.

Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Jan 11, 2023 - Materials Design

Jung, Jong Hyun; Srinivasan, Prashanth; Forslund, Axel; Grabowski, Blazej, 2023, "Data for: High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials", https://doi.org/10.18419/darus-3239, DaRUS, V1

Data for the publication High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials, npj Comput. Mater., DOI: 10.1038/s41524-022-00956-8 (2023) This data set contains - the training sets (VASP files), - the low mom...

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