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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2021 | V04O13_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.83822736; Eh | |||
| 27-Jul-2021 | V04O12_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.33475892; Eh | |||
| 27-Jul-2021 | V04O13_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.82481717; Eh | |||
| 27-Jul-2021 | V04O13_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.75773041; Eh | |||
| 27-Jul-2021 | V05O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.06931977; Eh | |||
| 27-Jul-2021 | Ta6O19_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.01670878; Eh | |||
| 27-Jul-2021 | Ta7O22_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.40665875; Eh | |||
| 27-Jul-2021 | V01O4_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.85877485; Eh | |||
| 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 |
Results 11-20 of 248 (Search time: 0.001 seconds).
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- 248 tantalum
- 248 vanadium
- 148 DFT
- 148 hafnium
- 148 molybdenum
- 148 Sulfoxidation
- 148 titanium
- 148 transition metal catalysis
- 148 Transition metals
- 148 tungsten
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