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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-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 | - | -765.36874031; eV | |||
 | 23-May-2022 | /CoCu_fcc FAL-tilt-5-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 04 2022 11:11:02) complex | Geometry optimization | DFT | - | -783.08267790; eV | |||
 | 23-May-2022 | /CoCu_fcc FAL-tilt-0-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 04 2022 11:11:02) complex | Geometry optimization | DFT | - | -762.07257278; eV | |||
 | 23-May-2022 | /CoCu_fcc FAL-flat-0-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 04 2022 11:11:02) complex | Geometry optimization | DFT | - | -762.92386449; eV | |||
 | 30-Mar-2022 | /Co_fcc 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 | - | -689.00871171; eV | |||
 | 23-May-2022 | /CoCu_fcc FAL-tilt-4-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 04 2022 11:11:02) complex | Geometry optimization | DFT | - | -779.17743004; eV | |||
 | 30-Mar-2022 | /molecules FAL | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -79.80632704; eV | |||
 | 30-Mar-2022 | /Co_fcc 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 | - | -757.74903630; eV | |||
 | 23-May-2022 | /CoCu_fcc FAL-flat-4-Cl | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 04 2022 11:11:02) complex | Geometry optimization | DFT | - | -779.42087348; eV | |||
 | 30-Mar-2022 | /molecules FUR | Ortuño Maqueda, Manuel Angel | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 17 2019 10:11:08) complex | Geometry optimization | DFT | - | -72.16697046; eV |
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