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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@C80/U2@C80_O1/U2@C80-3triplet U2@C80-3triplet | Rosello, Yannick | ADF; 2019; 306 | Single point | PBE0 == Not Default == | TZP | - |
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