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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Jul-2021 | Ta8O25_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.95325834; Eh | |||
| 28-Jul-2021 | Ta8O25_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.92379385; Eh | |||
| 28-Jul-2021 | Ta10O28_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.24359822; Eh | |||
| 28-Jul-2021 | TaO5_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.46440900; Eh | |||
| 28-Jul-2021 | Ta9O27_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.79179678; Eh | |||
| 28-Jul-2021 | TaO5_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.45975319; Eh | |||
| 28-Jul-2021 | Ta5O14_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.57729082; Eh | |||
| 28-Jul-2021 | Ta5O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.56565112; Eh | |||
| 28-Jul-2021 | H5O2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.02823881; Eh | |||
| 28-Jul-2021 | H4O2 | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.06528563; Eh |
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- 373 Niobium
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- 373 Vanadium