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. |
---|---|---|---|---|---|---|---|---|---|---|---|
17-Jul-2020 | /U2N U2N@Ih(7)-C80 | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE0 == Not Default == | TZP | -33.20689102; Eh | ||||
17-Jul-2020 | /U2C U2C@Ih(7)-C80 | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE0 == Not Default == | TZP | -33.08700361; Eh | ||||
17-Jul-2020 | /U2O U2O_@Ih(7)-C80 | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE0 == Not Default == | TZP | -33.20251251; Eh | ||||
21-Jul-2020 | /U2N_complex/U2N_neutral U2N_neutral | Rosello, Yannick | ADF; 2019; 302 | Geometry optimization | PBE0 == Not Default == | TZP | -50.32921776; Eh | ||||
21-Jul-2020 | /U2N_complex/U2N_cation U2N_cation | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE0 == Not Default == | TZP | -50.11521345; Eh | ||||
21-Jul-2020 | /U2N_complex/U2N_anion U2N_anion | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE0 == Not Default == | TZP | -50.35258961; Eh |
Results 1-6 of 6 (Search time: 0.001 seconds).
Discover
Program name
- 6 ADF
Calculation type