Data · dataset · 2018
Optimized calcium carbonate clusters at HF/6-31G* level of theory
Listed in DataCite
Description
These files contain the structures of the dimers, trimers, tetramers, pentamers, hexamers and heptamers of CaCO3 that we could identify as energy minima at the HF/6-31G* level of theory. Please cite the original paper springerlink.com/content/5q433p2575x12025/abstract/
Links
Where it is published
- Repository landing page figshare.com/articles/dataset/Optimized_calcium_carbonate_clusters_at_HF_6_… ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.799813 ↗
DOI / persistent id · from DataCite
Documentation and papers
Catalogue records · 2
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.799813 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.799813 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Chemical sciences
- From keywords
- Inorganic chemistry
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.799813 | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| byte_size | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:chemical-sciences | source · DataCite | connector:datacite@1.0.0 | |
| created_date | source · DataCite | connector:datacite@1.0.0 | |
| description | source · DataCite | connector:datacite@1.0.0 | /data/attributes/descriptions |
| license | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| publication_date | source · DataCite | connector:datacite@1.0.0 | /data/attributes/dates |
| title | source · DataCite | connector:datacite@1.0.0 | /data/attributes/titles/0/title |
| updated_date | source · DataCite | connector:datacite@1.0.0 |