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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Nov-2022 | /U2@C46(103) U2@C46(103) | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE | TZP | -15.36882621; Eh | |||
| 18-Nov-2022 | /U2@C44(75) U2@C44(75) | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE | TZP | -14.70420212; Eh | |||
| 18-Nov-2022 | /U2@48(196) U2@48(196) | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE | TZP | -16.01552011; Eh | |||
| 18-Nov-2022 | /U2@C80/U2@C80_O1/U2@C80-7septuplet U2@C80-7septuplet | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -32.73312153; Eh | |||
| 18-Nov-2022 | /U2@C80/U2@C80_O2/U2@C80-7septuplet U2@C80-7septuplet | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -32.70151747; Eh |
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