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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Mar-2021 | /Tungsten/W6O20_1H W6O20_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.70723752; Eh | |||
 | 2-Mar-2021 | /Tungsten/W12O40_2H_a W12O40_2H_a | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
 | 28-Jul-2021 | V05O14_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.05092500; Eh | |||
| 28-Jul-2021 | V04O13_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.83822736; Eh | |||
| 28-Jul-2021 | V06O18_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.00810536; Eh | |||
| 28-Jul-2021 | V05O15_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.67007844; Eh | |||
| 28-Jul-2021 | V06O18_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -7.99008397; Eh | |||
| 28-Jul-2021 | V01O5_6H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.32619358; Eh | |||
| 28-Jul-2021 | V05O15_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.66300052; Eh | |||
 | 2-Mar-2021 | /Tungsten/W10O32_1H W10O32_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.82667080; Eh |
Results 59771-59780 of 104128 (Search time: 0.036 seconds).
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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