Data · dataset · 2025
Optimized structures for "Nitro and nitritosilanes: Do they and can they exist?"
Listed in Borealis
Optimized structures pertaining to hypothetical nitro and nitritosilanes in the form of .log files produced by the Gaussian 16: ES64L-G16RevB.01 suite of programs. .log files contain vibrational modes, thermochemical data and coordinates.
Description
Files ending with "-Copie" have been edited to be read by earlier versions of Gaussview.
Links
Where it is published
- Dataverse dataset page borealisdata.ca/dataset.xhtml?persistentId=doi%3A10.5683%2FSP3%2FLQ7JKU ↗
landing page · from borealisdata ca
- DOI doi.org/10.5683/sp3/lq7jku ↗
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
- Chemistry
- From keywords
- Chemistry
- Inferred from text
- Medicinal and biomolecular chemistry 72%
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Borealis | doi:10.5683/SP3/LQ7JKU | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:group:3404 | enrichment · borealisdata ca | taxonomy-embedding@1.1.0 | title+keywords+description (72%) |
| concepts[field].dataverse_subject:chemistry | source · borealisdata ca | connector:borealisdata_ca@1.0.0 | /subjects |
| concepts[field].local:field:chemistry | 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 |