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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2021 | TaO5_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.46440900; Eh | |||
| 27-Jul-2021 | TaO3_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.21195659; Eh | |||
| 27-Jul-2021 | TaO5_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.45975319; Eh | |||
| 27-Jul-2021 | Ta24O72_10H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -34.38547138; Eh | |||
| 27-Jul-2021 | Ta05O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.56565112; Eh | |||
| 27-Jul-2021 | Ta5O16_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -7.59990156; Eh | |||
| 27-Jul-2021 | Ta4O13_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.18211744; Eh | |||
| 27-Jul-2021 | Ta05O14_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.57729082; Eh | |||
| 27-Jul-2021 | Ta5O16_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -7.52447456; Eh | |||
| 27-Jul-2021 | Ta4O13_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.13509241; Eh |
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