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. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Jul-2021 | Ta24O72_9H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -34.38147836; Eh | ||||
28-Jul-2021 | Ta8O25_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95325834; Eh | ||||
28-Jul-2021 | Ta9O27_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.90375977; Eh | ||||
28-Jul-2021 | Ta10O28_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.24359822; Eh | ||||
28-Jul-2021 | Ta8O25_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.92379385; Eh | ||||
28-Jul-2021 | Ta8O25_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95911228; Eh | ||||
28-Jul-2021 | Ta8O25_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95701536; Eh | ||||
28-Jul-2021 | Ta6O19_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.10238155; Eh | ||||
28-Jul-2021 | Ta6O19_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.12272397; Eh | ||||
28-Jul-2021 | Ta10O28_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.27735671; Eh |
Results 1-10 of 126 (Search time: 0.001 seconds).
Discover
Program name
- 126 ADF
Calculation type