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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Aug-2022 | 1a | Novotny, Jan | ADF; 2019 | Single point | PBE0 == Not Default == | 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 | - | |||
 | 9-Jun-2017 | /Triangle triangle12 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Square square10 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Linear linear08 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Butterfly butterfly02 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Square square02 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | |||
 | 9-Jun-2017 | /Linear linear10 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - |
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- 22 DFT
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Method
- 66 BP86
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- 58 PBE
- 18 PBE0 ...
- 14 |||
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- 4 M06-2X ...