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. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Jul-2020 | Mo7O24_0H_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -9.81590076; Eh | ||||
24-Jul-2020 | Mo7O24_1H_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -9.81526108; Eh | ||||
24-Jul-2020 | Mo7O24_2H_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -9.79581805; Eh | ||||
24-Jul-2020 | Mo8O26_0H_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -10.46831636; Eh | ||||
15-Jan-2020 | /ADF/Expansion_Dataset/2o2_no3 2o2_no3 | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | ||||
15-Jan-2020 | /ADF/Expansion_Dataset/UO2_NO3_xH2O/UO2_4H2O UO2_4H2O | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | ||||
15-Jan-2020 | /ADF/UO2_2NO3_xH2O/UO2_3H2O UO2_3H2O | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | ||||
15-Jan-2020 | /ADF/Expansion_Dataset/UO2_OH_xH2O/UO2_2H2O UO2_2H2O | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | ||||
15-Jan-2020 | /ADF/UO2_H2Ox/UO2_4H2O UO2_4H2O | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | ||||
15-Jan-2020 | /ADF/Expansion_Dataset/18A 18A | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - |
Results 21-30 of 81 (Search time: 0.002 seconds).
Discover
Program name
- 81 ADF
Calculation type