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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Jul-2020 | H3O_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -0.46362526; Eh |
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