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_126 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.13252476; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_125 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.28512744; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_124 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.01647890; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_123 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.11988577; eV | |||
![]() | 23-Oct-2023 | 4f_core,_3_te,_label_122 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.08467239; eV | |||
![]() | 23-Oct-2023 | 4f_core,_2_te,_label_66 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.72619942; eV | |||
![]() | 23-Oct-2023 | 4f_core,_2_te,_label_46 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.70266175; eV | |||
![]() | 23-Oct-2023 | 4f_core,_2_te,_label_33 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.67706154; eV | |||
![]() | 23-Oct-2023 | 4f_core,_2_te,_label_25 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jan 29 2021 16:10:49) gamma-only | Geometry optimization | DFT | - | -699.90638231; eV | |||
![]() | 23-Oct-2023 | oh_pt8,_top_site,_3_te | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Sep 21 2021 10:26:14) gamma-only | Geometry optimization | DFT | - | -710.20869650; eV |
Results 51-60 of 110 (Search time: 0.002 seconds).
Discover
Subject
- 110 CeO2
- 110 ceria
- 110 nanostructured catalysts
- 110 polarons
- 110 reducible oxides
Program name
- 110 vasp
Calculation type