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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 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 | - | -782.71759898; eV | |||
 | 30-Mar-2022 | /Co_fcc 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 | - | -774.81802178; eV | |||
 | 30-Mar-2022 | /Co_fcc FAL-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 | - | -770.52017004; eV | |||
 | 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_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 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_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 |
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