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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Mar-2023 | /Minima_Calculations/W06O20H0_int W06O20H0_int | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.72674738; Eh |
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