Data · dataset · 2024
Geometries-DTP
Listed in e-cienciaDatos
Data employed to obtain the results contained in the manuscript "Antiaromatic non-alternant heterocyclic compounds as molecular wires".
Description
The methodology applied is a combination of DFT and Green´s functon techniques.
Links
Where it is published
- Dataverse dataset page edatos.consorciomadrono.es/dataset.xhtml?persistentId=doi%3A10.21950%2FBLB9NR ↗
landing page · from edatos consorciomadrono es
- DOI doi.org/10.21950/blb9nr ↗
DOI / persistent id · from edatos consorciomadrono es
Catalogue records · 1
- Dataverse API edatos.consorciomadrono.es/api/datasets/:persistentId/?persistentId=doi%3A10.21950%2FBLB9… ↗
metadata API · from edatos consorciomadrono es
Topics
- Stated by source
- Química
- From keywords
- Density functional theory · Physics
- Inferred from text
- Atomic, molecular and optical physics 69%
Provenance · 1 source records, 10 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| e-cienciaDatos | doi:10.21950/BLB9NR | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:group:5102 | enrichment · edatos consorciomadrono es | taxonomy-embedding@1.1.0 | title+keywords+description (69%) |
| concepts[field].dataverse_subject:qu-mica | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /subjects |
| concepts[field].local:field:physics | mapping · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /subjects |
| concepts[method].local:method:dft | mapping · edatos consorciomadrono es | vocabulary-mapper@1.0.0 | keywords['DFT'] |
| created_date | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | |
| description | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /description |
| publication_date | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | |
| title | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | /name |
| updated_date | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 | |
| version_label | source · edatos consorciomadrono es | connector:edatos_consorciomadrono_es@1.0.0 |