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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Dec-2019 | singlet | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
| 17-Dec-2019 | bidentate | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
| 17-Dec-2019 | 3ts_u2o4_4py | Petrus, Enric | ADF; 2016 | Transition state | PBE | TZP | - | |||
| 17-Dec-2019 | 1_u2o4_2py | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
| 17-Dec-2019 | 1ts_h2 | Petrus, Enric | ADF; 2016 | Transition state | PBE | TZP | - | |||
| 17-Dec-2019 | u2o4_2oh_4py | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
| 17-Dec-2019 | u2o4_2oh_2py | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
| 17-Dec-2019 | uo2_2no3_2h2o | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - |
Results 11-18 of 18 (Search time: 0.002 seconds).