Data · dataset · 2022
DFT Optimised coordinates to the publication "Manipulating Electron Transfer − The Influence of Substituents on Novel Copper Guanidine Quinoline Complexes"
Listed in RADAR and RADAR4Memory — shown once because both records carry DOI 10.22000/613
The manuscript deals with the influence of different substituents of guanidine quinoline ligands on the electron transfer properties of the corresponding Cu(I) and Cu(II) complexes.
Description
The complexes were characterized with various methods but for further explanations of the substituents’ influences DFT calculations were essential. Correlations between the experimental and theoretical results revealed a deeper understanding of the properties of the copper complexes depending on the ligands’ substituents.
Links
Where it is published
- DOI doi.org/10.22000/613 ↗
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 · Earth & Environmental Science · Earth & Environmental Science · Physics · Physics
- Inferred from text
- Density functional theory 65% · Theoretical and computational chemistry 73%
Provenance · 2 source records, 13 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| RADAR | 10.22000/613 | 9 d ago | JSON v1 |
| RADAR4Memory | 10.22000/613 | 8 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:group:3407 | enrichment · radar service eu de | taxonomy-embedding@1.1.0 | title+keywords+description (73%) |
| 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 · radar service eu de | connector:radar_service_eu_de@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:physics | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:physics | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[method].local:method:dft | enrichment · radar service eu de | keyword-concept-rules@1.0.0 | title+description (65%) |
| 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 |