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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@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 | |||
| 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 | |||
| 18-Nov-2022 | /U2@C78/U2@C78_O1 U2@C78_O1 | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -31.92530994; Eh | |||
| 18-Nov-2022 | /U2@C78/U2@C78_O2 U2@C78_O2 | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -31.90477133; Eh | |||
| 18-Nov-2022 | /U2@C104 U2@C104 | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -42.37214825; Eh | |||
| 18-Nov-2022 | /U2@C80/U2@C80_O1/U2@C80-5quintuplet U2@C80-5quintuplet | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -32.71715985; Eh | |||
| 18-Nov-2022 | /U2@C80/U2@C80_O2/U2@C80-5quintuplet U2@C80-5quintuplet | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -32.70997676; Eh | |||
| 18-Nov-2022 | /U2@C60/U2@C60_O1/U2@C60-3triplet U2@C60-3triplet | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -24.61759634; Eh | |||
| 18-Nov-2022 | /U2@C60/U2@C60_O2/U2@C60-3triplet U2@C60-3triplet | Rosello, Yannick | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZP | -24.63924869; Eh |
Results 11-20 of 31 (Search time: 0.001 seconds).