Search
Add filters:
Use filters to refine the search results.
Item hits:
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 | CP_H2_S | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | ||||
3-May-2020 | 3_u2o4_4py | Petrus, Enric | ADF; 2016 | Single point | PBE | TZP | - | ||||
3-May-2020 | 1ts_h2_wa | Petrus, Enric | ADF; 2016 | Single point | PBE | TZP | - | ||||
3-May-2020 | CP_H2_T | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | ||||
3-May-2020 | dimer_2pyr_scalar | Petrus, Enric | ADF; 2016 | Single point | SAOP | TZP | - | ||||
3-May-2020 | CP_Singlet | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | ||||
3-May-2020 | monomer_2pyr_scalar | Petrus, Enric | ADF; 2016 | Single point | SAOP | TZP | - |
Results 1-10 of 12 (Search time: 0.002 seconds).