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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-BP86-LFC-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | BP86 | - | -704.094840; eV | ||||
26-Sep-2023 | WD-PO4-BP86-OPT | Malcolm, Daniel | AMS; 2020.102; r90821 | Geometry optimization | BP86 | - | -716.641903; eV |
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