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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 | u2o4_2oh_4py | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | ||||
3-May-2020 | uo2_2no3_2h2o | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | ||||
3-May-2020 | hno3 | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | ||||
3-May-2020 | 3_u2o2oh2_4py | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | ||||
3-May-2020 | monomer_2pyr_spinorbit | Petrus, Enric | ADF; 2016 | Single point | SAOP | TZP | - | ||||
3-May-2020 | hpy | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | -2.59818599; Eh | ||||
3-May-2020 | 3_u2o3oh_4py | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | ||||
3-May-2020 | peroxo_spinorbit | Petrus, Enric | ADF; 2016 | Single point | SAOP | TZP | - | ||||
3-May-2020 | uo2_no3_oh_2py | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - |
Results 1-10 of 33 (Search time: 0.002 seconds).