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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
26-Sep-2023 | WD-PO4-PBE0-SFC-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE0 == Not Default == | - | -934.117514; eV |
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