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. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Jul-2021 | TaO3_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.29054807; Eh | ||||
29-Jul-2021 | Nb7O22_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.32369093; Eh | ||||
29-Jul-2021 | NbO3_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.20018597; Eh | ||||
29-Jul-2021 | Nb9O27_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.63142418; Eh | ||||
29-Jul-2021 | Nb8O25_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | ||||
29-Jul-2021 | Ta10O28_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -13.27735671; Eh | ||||
29-Jul-2021 | V06O19_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -8.26597188; Eh | ||||
29-Jul-2021 | V07O21_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -9.30158028; Eh |
Results 361-368 of 368 (Search time: 0.002 seconds).
Discover
Subject
- 368 Niobium
- 368 Polyoxometalates
- 368 Vanadium
Method
- 368 PBE