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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Mar-2022 | /Co_fcc 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 | - | -774.97793024; eV | |||
 | 30-Mar-2022 | /Co_hcp Co-4-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -702.84265163; eV | |||
 | 30-Mar-2022 | /Co_hcp FUR-tilt-0-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -758.70293776; eV | |||
 | 30-Mar-2022 | /Co_hcp FUR-flat-0-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -759.88701497; eV | |||
 | 30-Mar-2022 | /Co_hcp 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 | - | -763.03694260; eV | |||
 | 30-Mar-2022 | /Co_hcp FUR-tilt-4-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -775.92004965; eV | |||
 | 30-Mar-2022 | /Co_hcp 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 | - | -779.17462209; eV | |||
 | 30-Mar-2022 | /Co_hcp FAL-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 | - | -786.97075994; eV |
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- 48 vasp