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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | |||
 | 17-Jul-2020 | /U2N U2N@Ih(7)-C80 | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE0 == Not Default == | TZP | -33.20689102; Eh | |||
| 17-Jul-2020 | /U2C U2C@Ih(7)-C80 | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE0 == Not Default == | TZP | -33.08700361; Eh | |||
 | 14-May-2019 | /1-2 CF-U2-quintet | Moreno Vicente, Antonio | ADF; 2017 | Geometry optimization | DFT | TZP | -43.34268583; Eh | |||
 | 14-May-2019 | /1-2 CF-U2-singlet | Moreno Vicente, Antonio | ADF; 2017 | Geometry optimization | DFT | TZP | -43.88568947; Eh | |||
 | 7-May-2019 | Three_MIB | Azmani, Khalid | Mopac; 2016; 16.093L 64BITS | Geometry optimization | PM6 | - | -14278.395478000648; nonsi:hartree | |||
| 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 | - | |||
| 17-Jul-2020 | /U2O U2O_@Ih(7)-C80 | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE0 == Not Default == | TZP | -33.20251251; Eh |
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