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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Apr-2021 | sp_s12g_1Sc_A | Swart, Marcel | ADF; | Single point | S12g-x PBEc | TZ2P | - |
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