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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 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 | - | -705.49300016; eV | |||
 | 30-Mar-2022 | /Co_fcc 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 | - | -758.84100292; eV | |||
 | 30-Mar-2022 | /Co_fcc Co_fcc | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -684.74653022; eV | |||
 | 30-Mar-2022 | /Co_fcc 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 | - | -701.74403736; eV | |||
 | 30-Mar-2022 | /Co_fcc 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 | - | -763.12269702; eV | |||
 | 30-Mar-2022 | /Co_fcc FAL-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 | - | -766.21480829; eV | |||
 | 23-May-2022 | /CoCu_fcc FAL-flat-5-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 04 2022 11:11:02) complex | Geometry optimization | DFT | - | -782.34559696; 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-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 | - | -769.67191600; eV | |||
 | 30-Mar-2022 | /Co_fcc 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 | - | -785.74057325; eV |
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