Data · dataset · 2024
London Dispersion driven Compaction of Coordination Cages in the Gas-phase – A combined Ion Mobility and Theoretical Study
Listed in TUDOdata
The dataset contains NMR spectra, mass and ion mobility spectra, ORCA output files, model structures, crystallographic data, calculated CCS values.
Description
Trajectories from MD simulations are not included for size reasons but can be obtained upon request. The Date is structured according to analytical methods.
In each folder another meta file explaining the labeling is given. The files can be opened with standard programs (e.g. NMR -> TopSpin, MestReNova; TIMS -> Bruker Compass v. 5.0).
Links
Where it is published
- Dataverse dataset page data.tu-dortmund.de/dataset.xhtml?persistentId=doi%3A10.17877%2FRESOLV-2024-LYFSZM… ↗
landing page · from data tu dortmund de
- DOI doi.org/10.17877/resolv-2024-lyfszm2x ↗
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 · Mathematics & Statistics · Social Science
- Inferred from text
- Macromolecular and materials chemistry 74%
Provenance · 1 source records, 13 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| TUDOdata | doi:10.17877/RESOLV-2024-LYFSZM2X | 11 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:group:3403 | enrichment · data tu dortmund de | taxonomy-embedding@1.0.0 | title+keywords+description (74%) |
| 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: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 |