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 | 4f_core,_3_te,_label_334 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.58033092; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_266 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.75779805; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_256 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.85487599; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_246 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.63834737; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_245 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.84693452; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_236 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.76525985; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_235 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.89430430; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_234 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.62647390; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_233 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.69224020; eV | ||||
23-Oct-2023 | 4f_core,_3_te,_label_226 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -698.77514361; eV |
Results 31-40 of 110 (Search time: 0.001 seconds).
Discover
Subject
- 110 CeO2
- 110 ceria
- 110 CO
- 110 DFT
- 110 electron transfer
- 110 electronic metal-support interact...
- 110 H2O
- 110 metal-support interactions
- 110 nanostructured catalysts