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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Jul-2021 | Nb9O27_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.63142418; Eh | |||
 | 29-Jul-2021 | NbO4_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.86224607; Eh | |||
 | 29-Jul-2021 | Nb8O25_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
 | 29-Jul-2021 | V04O13_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.83822736; Eh | |||
 | 29-Jul-2021 | V10O28_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.24202860; Eh | |||
 | 29-Jul-2021 | V10O28_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.25198374; Eh | |||
 | 29-Jul-2021 | V02O7_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.19333763; Eh | |||
 | 29-Jul-2021 | Nb5O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.49207788; Eh | |||
 | 29-Jul-2021 | V03O09_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.97406848; Eh | |||
 | 29-Jul-2021 | V03O09_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.99391814; Eh |
Results 69591-69600 of 104471 (Search time: 0.045 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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