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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Oct-2021 | H5O2 | Mateo, Ana | ADF; 2017 | Geometry optimization | BP86 | TZP | - |
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