Data · dataset · 2022
Experimental data and optimised coordinates to the publication Geometrical Benchmarking and Analysis of Redox Potentials of Copper(I/II) Guanidine-Quinoline Complexes: Comparison of semi-empirical tight-binding and DFT methods and the challenge of describing the entatic state (Part III)
Listed in RADAR and RADAR4Memory — shown once because both records carry DOI 10.22000/593
Experimental and DFT optimised coordinates were deposited.
Links
Where it is published
- DOI doi.org/10.22000/593 ↗
DOI / persistent id · from radar service eu de
Catalogue records · 1
- OAI-PMH record radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=oai_dc&identifier… ↗
metadata API · from radar service eu de
Topics
- From keywords
- Chemistry · Chemistry · Density functional theory · Density functional theory · Earth & Environmental Science · Earth & Environmental Science · Engineering · Engineering
- Inferred from text
- Computational chemistry 80%
Provenance · 2 source records, 14 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| RADAR | 10.22000/593 | 10 d ago | JSON v1 |
| RADAR4Memory | 10.22000/593 | 10 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].anzsrc:field:340701 | enrichment · radar service eu de | taxonomy-embedding@1.1.0 | title+keywords+description (80%) |
| concepts[field].local:field:chemistry | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:engineering | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:engineering | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[method].local:method:dft | mapping · radar service eu de | vocabulary-mapper@1.0.0 | keywords['density functional theory'] |
| concepts[method].local:method:dft | mapping · radar4memory radar service eu | vocabulary-mapper@1.0.0 | keywords['density functional theory'] |
| description | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/description |
| license | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/rights |
| publication_date | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| title | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/title |