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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Jul-2021 | V03O09_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.99391814; Eh | |||
| 28-Jul-2021 | V10O28_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.24868049; Eh | |||
| 28-Jul-2021 | V02O7_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.17552399; Eh | |||
| 28-Jul-2021 | V02O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.13586289; Eh | |||
| 28-Jul-2021 | V03O09_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.99664239; Eh | |||
| 28-Jul-2021 | V01O4_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.83716855; Eh | |||
| 28-Jul-2021 | V01O4_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.78742553; Eh | |||
 | 2-Mar-2021 | /Tungsten/W10O32_2H W10O32_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.77792086; Eh | |||
 | 2-Mar-2021 | /Tungsten/W2O7_0H W2O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.08328152; Eh | |||
 | 2-Mar-2021 | /Tungsten/W2O7_1H W2O7_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.06055492; Eh |
Results 57791-57800 of 104126 (Search time: 0.033 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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