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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Sep-2020 | TEA | Masip, Albert | ADF; 2017 | Geometry optimization | BP86 | TZ2P | -5.48365514; Eh | |||
 | 29-Sep-2020 | TMA | Masip, Albert | ADF; 2017 | Geometry optimization | BP86 | TZ2P | -3.07820177; Eh | |||
 | 29-Sep-2020 | TBA | Masip, Albert | ADF; 2017 | Geometry optimization | BP86 | TZ2P | -10.29566200; Eh | |||
 | 13-Dec-2018 | V18_18-0_OPT | Notario, Almudena | ADF; 2016 | Geometry optimization | DFT | TZP | -19.79511607; Eh | |||
| 13-Dec-2018 | V18_16-2_OPT | Notario, Almudena | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
| 13-Dec-2018 | V18_12-6_OPT | Notario, Almudena | ADF; 2016 | Geometry optimization | DFT | TZP | -19.08635647; Eh | |||
| 13-Dec-2018 | V18_10-8_OPT | Notario, Almudena | ADF; 2016 | Geometry optimization | DFT | TZP | -18.76280887; Eh | |||
| 13-Dec-2018 | V18_8-10_OPT | Notario, Almudena | ADF; 2016 | Geometry optimization | DFT | TZP | -18.38877688; Eh | |||
 | 22-Feb-2023 | H4PV14 | Masip, Albert | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZ2P | -26.08353246; Eh | |||
 | 22-Feb-2023 | H2PV14 | Masip, Albert | ADF; 2019; 306 | Geometry optimization | PBE0 == Not Default == | TZ2P | -24.67639148; Eh |
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