Data · dataset · 2026
Supplementary Replication Data for: Perfluorinated alkyl groups induce unexpected hydrophobic hydration structure
Listed in TUDOdata
Description
This is a pure metadata publication. The data, containing the Wannier center analyses referenced in doi.org/10.17877/RESOLV-2025-MI644MUC, is stored in Coscine until 2036-03-31. It will be provided upon request made through this dataset or directly to the point of contact.
Dataset Description: The full dataset documentation is found in the Readme file of the main replication dataset: doi.org/10.17877/RESOLV-2025-MI644MUC The Coscine archive this metadata publication relates to collects the computed Wannier centers: 1. Production Wannier Trajectories (Timescales: 25ns to 50ns) 2. Wannier Center Calculations (Timescales: 5ns to 20ns) 3.
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Merged Wannier Center (Timescales: 5ns to 20ns)
Links
Where it is published
- Dataverse dataset page data.tu-dortmund.de/dataset.xhtml?persistentId=doi%3A10.17877%2FRESOLV-2026-MU2G9O… ↗
landing page · from data tu dortmund de
- DOI doi.org/10.17877/resolv-2026-mu2g9o4r ↗
DOI / persistent id · from data tu dortmund de
Catalogue records · 1
- Dataverse API data.tu-dortmund.de/api/datasets/:persistentId/?persistentId=doi%3A10.17877%2FRESO… ↗
metadata API · from data tu dortmund de
Topics
- Stated by source
- Chemistry
- From keywords
- Chemistry · Engineering · Humanities · Life Sciences · Mathematics & Statistics · Social Science
- Inferred from text
- Medicinal and biomolecular chemistry 69%
Provenance · 1 source records, 14 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| TUDOdata | doi:10.17877/RESOLV-2026-MU2G9O4R | 4 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:group:3404 | enrichment · data tu dortmund de | taxonomy-embedding@1.0.0 | title+keywords+description (69%) |
| concepts[field].dataverse_subject:chemistry | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:chemistry | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:engineering | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:humanities | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:life-sciences | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:mathematics-statistics | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:social-science | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| created_date | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | |
| description | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /description |
| publication_date | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | |
| title | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /name |
| updated_date | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | |
| version_label | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 |