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 | Nb7O22_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -10.32369093; Eh | |||
![]() | 29-Jul-2021 | NbO4_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.91474693; 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 | 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 | 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 | Nb4O12_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -5.59811846; Eh | |||
![]() | 29-Jul-2021 | Nb5O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.49207788; Eh |
Results 1-10 of 373 (Search time: 0.001 seconds).
Discover
Subject
- 373 Niobium
- 373 Polyoxometalates
- 373 Vanadium