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. |
---|---|---|---|---|---|---|---|---|---|---|---|
4-Mar-2020 | /singlet_triplet_mechanism/3ts_u2o4_4py_wa 3ts_u2o4_4py_wa | Petrus, Enric | ADF; 2016 | Transition state | PBE | TZP | - | ||||
4-Mar-2020 | /singlet_triplet_mechanism/3ts_u2o4_4py 3ts_u2o4_4py | Petrus, Enric | ADF; 2016 | Transition state | PBE | TZP | - | ||||
4-Mar-2020 | /singlet_triplet_mechanism/1ts_h2 1ts_h2 | Petrus, Enric | ADF; 2016 | Transition state | PBE | TZP | - | ||||
17-Dec-2019 | 3ts_u2o4_4py_wa | Petrus, Enric | ADF; 2016 | Transition state | PBE | TZP | - | ||||
17-Dec-2019 | 3ts_u2o4_4py | Petrus, Enric | ADF; 2016 | Transition state | PBE | TZP | - | ||||
17-Dec-2019 | 1ts_h2 | Petrus, Enric | ADF; 2016 | Transition state | PBE | TZP | - | ||||
3-May-2020 | 1ts_h2 | Petrus, Enric | ADF; 2016 | Transition state | PBE | TZP | - | ||||
3-May-2020 | 3ts_u2o4_4py | Petrus, Enric | ADF; 2016 | Transition state | PBE | TZP | - | ||||
3-May-2020 | 3ts_u2o4_4py_wa | Petrus, Enric | ADF; 2016 | Transition state | PBE | TZP | - | ||||
1-Mar-2023 | /TransitionState_Calculations/h2w2o8_ts2 h2w2o8_ts2 | Petrus, Enric | ADF; 2019 | Transition state | PBE | TZP | -3.61176910; Eh |
Results 1-10 of 25 (Search time: 0.002 seconds).
Discover
Subject