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. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Mar-2022 | /Co_hcp Co-5-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -706.59629783; eV | ||||
30-Mar-2022 | /Co_fcc FAL-tilt-5-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -786.36464982; eV | ||||
30-Mar-2022 | /Co_hcp Co-1-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -689.95787936; eV | ||||
30-Mar-2022 | /Co_hcp FAL-tilt-1-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -770.65316531; eV | ||||
30-Mar-2022 | /Co_hcp FUR-flat-1-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -764.20976870; eV | ||||
30-Mar-2022 | /Co_hcp FUR-flat-4-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -776.15255140; eV | ||||
30-Mar-2022 | /Co_hcp FAL-flat-4-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -783.93315821; eV | ||||
30-Mar-2022 | /Co_fcc FUR-tilt-1-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -762.05524337; eV | ||||
30-Mar-2022 | /Co_fcc FUR-flat-5-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -778.21671627; eV | ||||
30-Mar-2022 | /Co_fcc FUR-tilt-5-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -778.70373350; eV |
Results 21-30 of 48 (Search time: 0.001 seconds).