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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jan-2023 | /ScY@C3v(8)-C82 ScY@C3v(8)-C82 | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -32.87444552; Eh | |||
| 23-Jan-2023 | /Y2@C3v(8)-C82 Y2@C3v(8)-C82 | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -32.87140153; Eh | |||
| 23-Jan-2023 | /Sc2@C3v(8)-C82 Sc2@C3v(8)-C82 | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -32.86552547; Eh |
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- 3 Fullerenes
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- 3 ADF