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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Jul-2022 | Hf5 | Bandeira, Nuno | ADF; 2019; 304 | Single point | PBEc revPBEx | TZP | - | ||||
1-Jul-2022 | Hf6 | Bandeira, Nuno | ADF; 2019 | Single point | PBEc revPBEx | TZP | - | ||||
1-Jul-2022 | Hf5 | Bandeira, Nuno | ADF; 2019; 304 | Single point | PBEc revPBEx | TZP | - | ||||
1-Jul-2022 | Hf6 | Bandeira, Nuno | ADF; 2019 | Single point | PBEc revPBEx | TZP | - |
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