Table · dataset · 2022
Dataset of experimental and theoretical IR and Raman spectra
Listed in ETH Zürich Research Collection
A dataset with experimental and theoretical IR and Raman spectra for 14 small organic molecules.
Description
On the computational side, the spectra for all possible stereoisomers were calculated (each for an ensemble of conformers). Details for the computations are given in the publication.
Links
Where it is published
- ETH Zürich Research Collection record hdl.handle.net/20.500.11850/586421 ↗
landing page · from research collection ethz ch
- DOI doi.org/10.3929/ethz-b-000586421 ↗
DOI / persistent id · from research collection ethz ch
Catalogue records · 1
- OAI-PMH record research-collection.ethz.ch/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Awww.… ↗
metadata API · from research collection ethz ch
Topics
- From keywords
- Chemistry · Computer Science & AI · Earth & Environmental Science · Economics & Finance · Engineering · Humanities · Life Sciences · Materials Science · Mathematics & Statistics · Medicine & Health · Physics · Psychology & Behavioral Science · Social Science
- Inferred from text
- Theoretical and computational chemistry 72%
Provenance · 1 source records, 19 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| ETH Zürich Research Collection | oai:www.research-collection.ethz.ch:20.500.11850/586421 | 10 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].anzsrc:group:3407 | enrichment · research collection ethz ch | taxonomy-embedding@1.0.0 | title+keywords+description (72%) |
| concepts[field].local:field:chemistry | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].local:field:economics-finance | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].local:field:engineering | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].local:field:humanities | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].local:field:mathematics-statistics | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].local:field:physics | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].local:field:psychology-behavioral | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| concepts[field].local:field:social-science | mapping · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| description | source · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | /metadata/dc/description |
| license | source · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | /metadata/dc/rights |
| publication_date | source · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | |
| title | source · research collection ethz ch | connector:research_collection_ethz_ch@1.0.0 | /metadata/dc/title |