Table · dataset · 2026
Support Information for DASA
Listed in ZivaHub and Deakin Research Online and DMU Figshare and HKU DataHub and Swinburne Figshare and DaYta Ya Rona and SUNScholarData and figshare and Loughborough Research Repository and GRANTS Data and UP Research Data Repository — shown once because both records carry DOI 10.6084/m9.figshare.33061859.v3
<p dir="ltr">These folders contain information for each molecule:</p><ul><li><b>OPT</b>: opt+freq logfile + optimized xyz</li><li><b>VEE</b>: TD-DFT logfile</li><li><b>TD-DFT</b>: text file with S1 excitation + oscillator strength</li><li><b>TS</b>: opt+freq logfile + TS optimized xyz </li></ul><p><br></p>
Links
Where it is published
- DOI doi.org/10.6084/m9.figshare.33061859.v3 ↗
DOI / persistent id · from zivahub uct ac za
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
metadata API · from zivahub uct ac za
Topics
- From keywords
- Astronomy & Astrophysics · Chemistry · Chemistry · Chemistry · Chemistry · Chemistry · Chemistry · Chemistry · Chemistry · Chemistry · Chemistry · Chemistry · Computer Science & AI · Computer Science & AI · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Earth & Environmental Science · Economics & Finance · Economics & Finance · Engineering · Engineering · Engineering · Engineering · Humanities · Humanities · Humanities · Humanities · Humanities · Life Sciences · Life Sciences · Life Sciences · Life Sciences · Life Sciences · Materials Science · Mathematics & Statistics · Medicine & Health · Medicine & Health · Ocean & Atmospheric Science · Photochemistry · Photochemistry · Photochemistry · Photochemistry · Photochemistry · Photochemistry · Photochemistry · Photochemistry · Photochemistry · Photochemistry · Photochemistry · Psychology & Behavioral Science · Psychology & Behavioral Science · Social Science · Social Science · Social Science · Social Science · Social Science
- Inferred from text
- Text 75%
Provenance · 11 source records, 70 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| ZivaHub | oai:figshare.com:article/33061859 | 6 d ago | JSON v1 |
| Deakin Research Online | oai:figshare.com:article/33061859 | 6 d ago | JSON v1 |
| DMU Figshare | oai:figshare.com:article/33061859 | 6 d ago | JSON v1 |
| HKU DataHub | oai:figshare.com:article/33061859 | 5 d ago | JSON v1 |
| Swinburne Figshare | oai:figshare.com:article/33061859 | 5 d ago | JSON v1 |
| DaYta Ya Rona | oai:figshare.com:article/33061859 | 5 d ago | JSON v1 |
| SUNScholarData | oai:figshare.com:article/33061859 | 5 d ago | JSON v1 |
| figshare | oai:figshare.com:article/33061859 | 5 d ago | JSON v1 |
| Loughborough Research Repository | oai:figshare.com:article/33061859 | 4 d ago | JSON v1 |
| GRANTS Data | oai:figshare.com:article/33061859 | 4 d ago | JSON v1 |
| UP Research Data Repository | oai:figshare.com:article/33061859 | 4 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].anzsrc:field:340606 | mapping · figshare com | vocabulary-mapper@1.0.0 | keywords['Photochemistry'] |
| concepts[field].anzsrc:field:340606 | mapping · scholardata sun ac za | vocabulary-mapper@1.0.0 | keywords['Photochemistry'] |
| concepts[field].anzsrc:field:340606 | mapping · zivahub uct ac za | vocabulary-mapper@1.0.0 | keywords['Photochemistry'] |
| concepts[field].anzsrc:field:340606 | mapping · dro deakin edu au | vocabulary-mapper@1.0.0 | keywords['Photochemistry'] |
| concepts[field].anzsrc:field:340606 | mapping · figshare dmu ac uk | vocabulary-mapper@1.0.0 | keywords['Photochemistry'] |
| concepts[field].anzsrc:field:340606 | mapping · grantsdata jst go jp | vocabulary-mapper@1.0.0 | keywords['Photochemistry'] |
| concepts[field].anzsrc:field:340606 | mapping · datahub hku hk | vocabulary-mapper@1.0.0 | keywords['Photochemistry'] |
| concepts[field].anzsrc:field:340606 | mapping · figshare swinburne edu au | vocabulary-mapper@1.0.0 | keywords['Photochemistry'] |
| concepts[field].anzsrc:field:340606 | mapping · researchdata up ac za | vocabulary-mapper@1.0.0 | keywords['Photochemistry'] |
| concepts[field].anzsrc:field:340606 | mapping · repository lboro ac uk | vocabulary-mapper@1.0.0 | keywords['Photochemistry'] |
| concepts[field].anzsrc:field:340606 | mapping · dayta nwu ac za | vocabulary-mapper@1.0.0 | keywords['Photochemistry'] |
| concepts[field].local:field:astronomy | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · datahub hku hk | connector:datahub_hku_hk@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · scholardata sun ac za | connector:scholardata_sun_ac_za@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · figshare swinburne edu au | connector:figshare_swinburne_edu_au@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · figshare dmu ac uk | connector:figshare_dmu_ac_uk@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · dayta nwu ac za | connector:dayta_nwu_ac_za@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · grantsdata jst go jp | connector:grantsdata_jst_go_jp@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · dro deakin edu au | connector:dro_deakin_edu_au@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · dro deakin edu au | connector:dro_deakin_edu_au@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare dmu ac uk | connector:figshare_dmu_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · datahub hku hk | connector:datahub_hku_hk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare swinburne edu au | connector:figshare_swinburne_edu_au@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · dayta nwu ac za | connector:dayta_nwu_ac_za@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · scholardata sun ac za | connector:scholardata_sun_ac_za@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · grantsdata jst go jp | connector:grantsdata_jst_go_jp@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | |
| concepts[field].local:field:economics-finance | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:economics-finance | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:engineering | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:engineering | mapping · dayta nwu ac za | connector:dayta_nwu_ac_za@1.0.0 | |
| concepts[field].local:field:engineering | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:engineering | mapping · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | |
| concepts[field].local:field:humanities | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:humanities | mapping · dayta nwu ac za | connector:dayta_nwu_ac_za@1.0.0 | |
| concepts[field].local:field:humanities | mapping · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | |
| concepts[field].local:field:humanities | mapping · scholardata sun ac za | connector:scholardata_sun_ac_za@1.0.0 | |
| concepts[field].local:field:humanities | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · scholardata sun ac za | connector:scholardata_sun_ac_za@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · dayta nwu ac za | connector:dayta_nwu_ac_za@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:mathematics-statistics | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:ocean-atmospheric | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:psychology-behavioral | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:psychology-behavioral | mapping · scholardata sun ac za | connector:scholardata_sun_ac_za@1.0.0 | |
| concepts[field].local:field:social-science | mapping · repository lboro ac uk | connector:repository_lboro_ac_uk@1.0.0 | |
| concepts[field].local:field:social-science | mapping · dayta nwu ac za | connector:dayta_nwu_ac_za@1.0.0 | |
| concepts[field].local:field:social-science | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:social-science | mapping · researchdata up ac za | connector:researchdata_up_ac_za@1.0.0 | |
| concepts[field].local:field:social-science | mapping · scholardata sun ac za | connector:scholardata_sun_ac_za@1.0.0 | |
| concepts[modality].local:modality:text | enrichment · zivahub uct ac za | keyword-concept-rules@1.0.0 | title+description (75%) |
| description | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/description |
| license | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/rights |
| publication_date | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | |
| title | source · zivahub uct ac za | connector:zivahub_uct_ac_za@1.0.0 | /metadata/dc/title |