Data · dataset · 2024
TD-DFT calculations of bridged triarylamine dimers
Listed in RADAR and RADAR4Memory — shown once because both records carry DOI 10.58160/xuofeaxuqynmdzig
This dataset contains (TD-)DFT calculations (Gaussian 09 output files) for a series of 2,7-fluorene bridged triarylamine dimers in their neutral-, monoradicalic- and diradicalic state.
Description
The dataset is used in a print publication from the Lambert group with the title “Tuning Electron Transfer Coupling and Exchange Interaction in Bis-triarylamine Radical Cations and Dications by Bridge Electron Density”. For the detailed content list, please refer to the read me file.
Links
Where it is published
- DOI doi.org/10.58160/xuofeaxuqynmdzig ↗
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 · Energy · Energy · Physical organic chemistry · Physical organic chemistry
- Inferred from text
- Density functional theory 65%
Provenance · 2 source records, 14 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| RADAR | 10.58160/XuoFEaxuQyNMDzIg | 5 d ago | JSON v1 |
| RADAR4Memory | 10.58160/XuoFEaxuQyNMDzIg | 5 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:340505 | mapping · radar4memory radar service eu | vocabulary-mapper@1.0.0 | keywords['Physical Organic Chemistry'] |
| concepts[field].anzsrc:field:340505 | mapping · radar service eu de | vocabulary-mapper@1.0.0 | keywords['Physical Organic Chemistry'] |
| concepts[field].local:field:chemistry | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · radar service eu de | connector:radar_service_eu_de@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:energy | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:energy | 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_text | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| 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 |