Data · dataset · 2025
QTNano - Ab Initio Investigation of CH4 Dehydrogenation on a (CeO2)10 Cluster - J. Phys. Chem. C 126, 11937−11948 (2022)
Listed in Teesside University Research Data Repository
Description
The following directories contain the data related to the DFT calculations used in the analysis described in the research article "QTNano – Ab Initio Investigation of CH₄ Dehydrogenation on a (CeO₂)₁₀ Cluster," published in The Journal of Physical Chemistry C and accessible at doi.org/10.1021/acs.jpcc.2c02038.
Links
Where it is published
- DOI doi.org/10.17632/pj47xxk7yk.2 ↗
DOI / persistent id · from researchdata tees ac uk
Catalogue records · 1
- OAI-PMH record data.mendeley.com/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Adata… ↗
metadata API · from researchdata tees ac uk
Topics
- From keywords
- Earth & Environmental Science
- Inferred from text
- Density functional theory 65%
Provenance · 1 source records, 7 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Teesside University Research Data Repository | oai:data.mendeley.com/pj47xxk7yk.2 | 8 h ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| concepts[method].local:method:dft | enrichment · researchdata tees ac uk | keyword-concept-rules@1.0.0 | title+description (65%) |
| description | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/description |
| license | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/rights |
| publication_date | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | |
| title | source · researchdata tees ac uk | connector:researchdata_tees_ac_uk@1.0.0 | /metadata/dc/title |