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. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Mar-2022 | Pt-4O-2Ce3-28_29 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -857.22761471; eV | ||||
1-Mar-2022 | Pt-4O-1Ce3-36 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -857.54349380; eV | ||||
1-Mar-2022 | Cu-4O-1Ce3-35 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -854.43279105; eV | ||||
1-Mar-2022 | Pt-4O-1Ce3-34 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -857.10349775; eV | ||||
1-Mar-2022 | Pt-4O-1Ce3-33 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -857.56003603; eV | ||||
1-Mar-2022 | Pt-4O-1Ce3-30 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -857.55316497; eV | ||||
1-Mar-2022 | Pt-4O-1Ce3-31 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -857.56648751; eV | ||||
1-Mar-2022 | Pt-4O-1Ce3-32 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -857.52335818; eV | ||||
1-Mar-2022 | Pt-4O-1Ce3-35 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -857.38753989; eV | ||||
1-Mar-2022 | Pt-4O-1Ce3-29 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -857.46180652; eV |
Results 11-20 of 3665 (Search time: 0.002 seconds).
Discover
Subject
- 1387 Ceria
- 1387 Configurational sampling
- 1387 DFT+U
- 1387 Polarons
- 1387 Reducible oxide
- 1387 SAC
Method
- 3665 DFT