The predicted spectrum and singlet-triplet interaction of the hypermetallic molecule SrOSr
The predicted spectrum and singlet-triplet interaction of the hypermetallic molecule SrOSr
| DOI | Resolve DOI: https://doi.org/10.1021/jp310531s |
|---|---|
| Author | Search for: ; Search for: ; Search for: ; Search for: |
| Format | Text, Article |
| Subject | Ab initio simulations; Complete active space self-consistent fields; Effective core potential; Electronic absorption bands; Ground electronic state; Multi reference configuration interactions; Triplet electronic state; Vertical excitation energy; Absorption spectroscopy; Light absorption; Molecules; Perturbation techniques; Quantum chemistry; Electronic states |
| Publication date | 2013-03-18 |
| In | |
| Language | English |
| Peer reviewed | Yes |
| NRC publication | This is a non-NRC publication"Non-NRC publications" are publications authored by NRC employees prior to their employment by NRC. |
| NPARC number | 21270505 |
| Export citation | Export as RIS |
| Report a correction | Report a correction (opens in a new tab) |
| Record identifier | b3e844ca-e653-48f9-808e-14d355a605fd |
| Record created | 2014-02-14 |
| Record modified | 2020-04-22 |
- Date modified: