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 | Nb4O13_1H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
| 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 | Nb3O10_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -4.69385641; Eh | |||
| 27-Jul-2021 | NbO5_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.44004212; Eh | |||
| 27-Jul-2021 | NbO5_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.43910554; 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 541-550 of 1546 (Search time: 0.002 seconds).