Data · dataset · 2023
Calculation files for paper "Ab initio study of the processes of nitrogen functionalisation in graphene"
Listed in Borealis
This archive contains all calculation files, both inputs and outputs, generated for and from the Ab Initio electronic structure code BigDFT, that were used for the numerical results presented in the paper "Ab initio study of the processes of nitrogen functionalisation in graphene".
Description
Cette archive contient tous les fichiers de calculs, autant les fichiers d'entrée que les fichiers de sortie, qui ont servi à créer les résultats numériques présentés dans l'article "Ab initio study of the processes of nitrogen functionalisation in graphene".
Ces fichiers ont été écrits pour ou générés par le code de structure électronique Ab Initio BigDFT.
Links
Where it is published
- Dataverse dataset page borealisdata.ca/dataset.xhtml?persistentId=doi%3A10.5683%2FSP3%2F21TPSE ↗
landing page · from borealisdata ca
- DOI doi.org/10.5683/sp3/21tpse ↗
DOI / persistent id · from borealisdata ca
Catalogue records · 1
- Dataverse API borealisdata.ca/api/datasets/:persistentId/?persistentId=doi%3A10.5683%2FSP3%2… ↗
metadata API · from borealisdata ca
Topics
- Stated by source
- Physics
- From keywords
- Physics
- Inferred from text
- Condensed matter physics 69%
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Borealis | doi:10.5683/SP3/21TPSE | 10 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:group:5104 | enrichment · borealisdata ca | taxonomy-embedding@1.1.0 | title+keywords+description (69%) |
| concepts[field].dataverse_subject:physics | source · borealisdata ca | connector:borealisdata_ca@1.0.0 | /subjects |
| concepts[field].local:field:physics | mapping · borealisdata ca | connector:borealisdata_ca@1.0.0 | /subjects |
| created_date | source · borealisdata ca | connector:borealisdata_ca@1.0.0 | |
| description | source · borealisdata ca | connector:borealisdata_ca@1.0.0 | /description |
| publication_date | source · borealisdata ca | connector:borealisdata_ca@1.0.0 | |
| title | source · borealisdata ca | connector:borealisdata_ca@1.0.0 | /name |
| updated_date | source · borealisdata ca | connector:borealisdata_ca@1.0.0 | |
| version_label | source · borealisdata ca | connector:borealisdata_ca@1.0.0 |