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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2021 | Ta7O22_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.44680634; Eh | |||
| 27-Jul-2021 | Ta04O12_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.63759485; Eh | |||
| 27-Jul-2021 | Ta10O28_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.29731154; Eh | |||
| 27-Jul-2021 | TaO4_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.92701329; Eh | |||
| 27-Jul-2021 | TaO3_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.29054807; Eh | |||
| 27-Jul-2021 | Nb8O25_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.82975539; Eh | |||
| 27-Jul-2021 | Nb8O25_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.82548484; Eh | |||
| 27-Jul-2021 | NbO5_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.44004212; Eh | |||
| 27-Jul-2021 | Nb3O10_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.69385641; Eh | |||
| 27-Jul-2021 | V04O12_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.32789309; Eh |
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- 100 niobium
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- 100 PBE