Data · dataset · 2015
Stability, metastability and spectroscopic constants of electronic states of NH − and CH −
Listed in DataCite
Highly correlated ab initio methods were used in order to calculate potential energy curves (PECs) of the bound electronic states of CH − and NH − anions and the long-range parts of their excited states.
Description
The spin–orbit interaction between electronic states has been calculated for the cases in which the couplings were assumed to be responsible for perturbations. The spectroscopic constants of bound states were calculated from the PECs and compared with previous theoretical and/or available experimental values.
Also, from the ground states of CH/CH − and NH/NH − , the adiabatic electron affinities were given and discussed.
Links
Where it is published
- Repository landing page tandf.figshare.com/articles/dataset/Stability_metastability_and_spectroscopic_con… ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.1183476.v2 ↗
DOI / persistent id · from DataCite
Documentation and papers
- Creative Commons Attribution 4.0 International creativecommons.org/licenses/by/4.0/legalcode ↗
license · from DataCite
- IsSupplementTo 10.1080/00268976.2014.963183 doi.org/10.1080/00268976.2014.963183 ↗
publication · from DataCite
Catalogue records · 2
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.1183476.v2 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.1183476.v2 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Biological sciences · Chemical sciences · Mathematics
- From keywords
- Chemistry · Life Sciences · Mathematics & Statistics · Physics
Related
Provenance · 1 source records, 15 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.1183476.v2 | 14 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| byte_size | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:biological-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:chemical-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:mathematics | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Chemistry'] |
| concepts[field].local:field:life-sciences | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Biological Sciences'] |
| concepts[field].local:field:mathematics-statistics | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Mathematics'] |
| concepts[field].local:field:physics | mapping · DataCite | vocabulary-mapper@1.0.0 | keywords['Physics'] |
| created_date | source · DataCite | connector:datacite@1.0.0 | |
| description | source · DataCite | connector:datacite@1.0.0 | /data/attributes/descriptions |
| license | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| publication_date | source · DataCite | connector:datacite@1.0.0 | /data/attributes/dates |
| title | source · DataCite | connector:datacite@1.0.0 | /data/attributes/titles/0/title |
| updated_date | source · DataCite | connector:datacite@1.0.0 |