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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
3-May-2020 | dimer_2pyr_spinorbit | Petrus, Enric | ADF; 2016 | Single point | SAOP | TZP | - | ||||
3-May-2020 | monomer_2pyr_spinorbit | Petrus, Enric | ADF; 2016 | Single point | SAOP | TZP | - | ||||
3-May-2020 | peroxo_spinorbit | Petrus, Enric | ADF; 2016 | Single point | SAOP | TZP | - | ||||
3-May-2020 | dimer_2pyr_scalar | Petrus, Enric | ADF; 2016 | Single point | SAOP | TZP | - | ||||
3-May-2020 | monomer_2pyr_scalar | Petrus, Enric | ADF; 2016 | Single point | SAOP | TZP | - | ||||
3-May-2020 | peroxo_scalar | Petrus, Enric | ADF; 2016 | Single point | SAOP | TZP | - |
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