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_valence,_3_te,_label_123 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only | Geometry optimization | DFT | - | -701.33363164; eV | ||||
23-Oct-2023 | 4f_valence,_3_te,_label_122 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only | Geometry optimization | DFT | - | -701.34639468; eV | ||||
23-Oct-2023 | 4f_valence,_2_te,_label_16 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only | Geometry optimization | DFT | - | -701.35920107; eV | ||||
23-Oct-2023 | 4f_valence,_2_te,_label_15 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only | Geometry optimization | DFT | - | -701.43638573; eV | ||||
23-Oct-2023 | 4f_valence,_2_te,_label_14 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only | Geometry optimization | DFT | - | -701.30973504; eV | ||||
23-Oct-2023 | 4f_valence,_2_te,_label_13 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only | Geometry optimization | DFT | - | -701.34575120; eV | ||||
23-Oct-2023 | 4f_valence,_2_te,_label_12 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only | Geometry optimization | DFT | - | -701.29037900; eV | ||||
23-Oct-2023 | 4f_valence,_1_te,_label_6 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-only | Geometry optimization | DFT | - | -701.15963474; eV | ||||
23-Oct-2023 | 4f_valence,_1_te,_label_5 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-only | Geometry optimization | DFT | - | -701.24502744; eV | ||||
23-Oct-2023 | 4f_valence,_1_te,_label_4 | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Jul 19 2019 12:04:57) gamma-only | Geometry optimization | DFT | - | -701.14461262; eV |
Results 11-20 of 298 (Search time: 0.002 seconds).
Discover
Subject
- 170 CeO2
- 170 ceria
- 170 DFT
- 128 alloys
- 128 dft
- 128 global optimization
- 128 monte carlo
- 128 nanoalloys
- 128 Nanoparticles
- 128 Ni
- next >
Program name
- 298 vasp
Calculation type