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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Jun-2017 | /Atoms Co3 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Atoms Fe0 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Atoms Co5 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Atoms V5 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
 | 16-Aug-2022 | 3a | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 16-Aug-2022 | 5a | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 16-Aug-2022 | 5b | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 16-Aug-2022 | 1a | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | TZ2P | - | |||
 | 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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