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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Jul-2021 | H3O | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -0.47246543; Eh | |||
| 28-Jul-2021 | H2O | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -0.52905636; Eh | |||
| 28-Jul-2021 | Nb5O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.49207788; Eh | |||
| 28-Jul-2021 | V10O28_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.25198374; Eh | |||
| 28-Jul-2021 | Nb16O49_7H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -23.15558296; Eh | |||
| 28-Jul-2021 | Nb9O27_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.72478786; Eh | |||
| 28-Jul-2021 | V03O10_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.52620409; Eh | |||
| 28-Jul-2021 | V04O13_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.83822736; Eh | |||
| 28-Jul-2021 | V04O12_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.33475892; Eh | |||
| 28-Jul-2021 | V04O12_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.32789309; Eh |
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- 373 Niobium
- 373 Polyoxometalates
- 373 Vanadium