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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Jul-2021 | /U@C86 U@Cs(16)-C86 | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -34.58303426; Eh | |||
| 2-Jul-2021 | /U@C86 U@C2(17)-C86 | Rosello, Yannick | ADF; 2019; 304 | Geometry optimization | PBE0 == Not Default == | TZP | -34.59123181; Eh | |||
| 2-Jul-2021 | /U@C86 U@C2(14)-C86 | Rosello, Yannick | ADF; 2019; 304 | Geometry optimization | PBE0 == Not Default == | TZP | -34.59187326; Eh | |||
| 2-Jul-2021 | /U@C84 U@Cs(15)-C84 | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -33.79051773; Eh | |||
| 2-Jul-2021 | /U@C86 U@C1(11)-C86 | Rosello, Yannick | ADF; 2019; 302 | Geometry optimization | PBE0 == Not Default == | TZP | -34.60133512; Eh | |||
| 2-Jul-2021 | /U@C82 U@Cs(6)-C82 | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -32.97563535; Eh | |||
| 2-Jul-2021 | /U@C84 U@C2(8)-C84 | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -33.79012120; Eh | |||
| 2-Jul-2021 | /U@C86 U@C1(5)-C86 | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -34.59349975; Eh | |||
| 2-Jul-2021 | /U@C86 U@C1(12)-C86 | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -34.59170559; Eh |
Results 1-9 of 9 (Search time: 0.001 seconds).