Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2021 | Nb04O12_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.59479004; Eh | |||
| 27-Jul-2021 | Nb6O19_3H | Petrus, Enric | ADF; 2019 | Frequencies | B3LYP | TZP | - | |||
| 27-Jul-2021 | Nb24O72_10H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -33.96254274; Eh | |||
| 27-Jul-2021 | Nb24O72_9H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -33.94092967; Eh | |||
| 27-Jul-2021 | Nb10O28_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.12227081; Eh | |||
| 27-Jul-2021 | Nb10O28_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.13064952; Eh | |||
| 27-Jul-2021 | Nb05O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.49207788; Eh | |||
| 27-Jul-2021 | NbO3_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.28919126; Eh | |||
| 27-Jul-2021 | Nb4O13_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.07776807; Eh | |||
| 27-Jul-2021 | Nb6O19_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.89453860; Eh |
Results 57211-57220 of 104126 (Search time: 0.035 seconds).
Discover
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
- next >