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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Mar-2020 | /TD_DFT/monomer_2pyr monomer_2pyr | Petrus, Enric | ADF; 2019 | Single point | SAOP | TZP | - | |||
| 4-Mar-2020 | /TD_DFT/dimer_4pyr dimer_4pyr | Petrus, Enric | ADF; 2019 | Single point | SAOP | TZP | - | |||
| 4-Mar-2020 | /TD_DFT/peroxo peroxo | Petrus, Enric | ADF; 2019 | Single point | SAOP | TZP | - | |||
| 4-Mar-2020 | /TD_DFT/dimer_2pyr dimer_2pyr | Petrus, Enric | ADF; 2019 | Single point | SAOP | TZP | - | |||
 | 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 | - |
Results 1-10 of 10 (Search time: 0.002 seconds).