Search
Add filters:
Use filters to refine the search results.
- previous
- 1
- next
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Sep-2019 | /Profile_1 step_C | Bandeira, Nuno | ADF; 2017 | Geometry optimization | DFT | TZP; DZP; SZ | -34.74659411; Eh | |||
 | 18-Sep-2019 | U_di-imide_complex | Bandeira, Nuno | ADF; 2017 | Geometry optimization | DFT | TZP; DZP; SZ | -33.95245448; Eh | |||
 | 14-Sep-2021 | U(O)(imido) | Bandeira, Nuno | ADF; 2019 | Geometry optimization | PBEc revPBEx | TZP; DZP; SZ | -31.15459044; Eh | |||
| 14-Sep-2021 | U(bis-imido) | Bandeira, Nuno | ADF; 2019 | Geometry optimization | PBEc revPBEx | TZP; DZP; SZ | -33.95632707; Eh | |||
| 14-Sep-2021 | UO2 | Bandeira, Nuno | ADF; 2019 | Geometry optimization | PBEc revPBEx | TZP; DZP; SZ | -28.35425501; Eh |
Results 1-5 of 5 (Search time: 0.001 seconds).
Discover
Subject
Method
- 3 PBEc revPBEx
- 2 DFT