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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2021 | V01O4_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.83716855; Eh | |||
| 27-Jul-2021 | TaO4_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.88192986; Eh | |||
| 27-Jul-2021 | V01O4_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.78742553; Eh | |||
| 27-Jul-2021 | Ta8O25_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.92379385; Eh | |||
| 27-Jul-2021 | Ta9O27_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.90375977; Eh | |||
| 27-Jul-2021 | Ta6O19_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.06970353; Eh | |||
| 27-Jul-2021 | Ta9O27_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.85272739; Eh | |||
| 27-Jul-2021 | Ta2O7_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.31690361; Eh | |||
| 27-Jul-2021 | Ta2O7_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.34143609; Eh | |||
| 27-Jul-2021 | Ta2O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.28872224; Eh |
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- 373 Niobium
- 373 Polyoxometalates
- 373 Vanadium