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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-B3LYP-LFC-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -851.197642; eV | |||
 | 26-Sep-2023 | WD-PO4-B3LYP-D-OPT | Malcolm, Daniel | AMS; 2020.102; r90821 | Geometry optimization | B3LYP | - | -796.883523; eV | |||
 | 26-Sep-2023 | WD-PO4-B3LYP-SFC-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | B3LYP | - | -864.330517; eV |
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