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| 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 |
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