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. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 23-Oct-2023 | pt8_ceo2,_4f_valence,_0_te | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only | Geometry optimization | DFT | - | -700.92563994; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_566 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.87110623; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_466 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.47080742; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_456 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.86664850; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_366 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.71887958; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_356 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.86982775; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_346 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.58732054; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_345 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.83718916; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_336 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.73891498; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_335 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.80626363; eV |
Results 21-30 of 110 (Search time: 0.001 seconds).
Discover
Subject
- 110 CO
- 110 nanostructured catalysts
- 110 polarons