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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2021 | Nb4O13_1H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
| 27-Jul-2021 | Nb8O25_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.82548484; Eh | |||
| 27-Jul-2021 | Nb8O25_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -11.82975539; Eh | |||
| 27-Jul-2021 | Nb3O10_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.69385641; Eh | |||
| 27-Jul-2021 | NbO5_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.43910554; Eh | |||
| 27-Jul-2021 | NbO5_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.44004212; Eh | |||
| 27-Jul-2021 | Nb2O7_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.32148541; Eh | |||
| 27-Jul-2021 | Nb3O10_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.66671941; Eh | |||
| 27-Jul-2021 | Nb2O7_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.29641571; Eh | |||
| 27-Jul-2021 | Nb2O7_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -3.26661780; Eh |
Results 57221-57230 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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