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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Apr-2026 | /redCO2 Cu(211)(3x3)-CO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -177.93017087; eV | |||
| 29-Apr-2026 | /redCO2 Cu(110)(3x3)-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -154.73140886; eV | |||
| 29-Apr-2026 | /redCO2 Ag(110)(3x3)-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -113.21692209; eV | |||
| 29-Apr-2026 | /redCO2 Cu(110)(3x3)-CO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -170.49776809; eV | |||
| 29-Apr-2026 | /redCO2 Cu(211)(3x3)-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -162.32477003; eV | |||
| 29-Apr-2026 | /redCO2 Ag(100)(3x3)-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -117.67288165; eV | |||
| 29-Apr-2026 | /redCO2 Ag(110)(3x3)-CO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -128.40220916; eV | |||
| 29-Apr-2026 | /redCO2 Ag(100)(3x3)-CO | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -132.77653294; eV | |||
| 29-Apr-2026 | /redCO2 CuML-Ag(110)(3x3)-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -118.42576322; eV | |||
| 29-Apr-2026 | /redCO2 CuML-Ag(211)(3x3)-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Dec 16 2021 11:12:10) complex | Geometry optimization | DFT | - | -124.57401061; eV |
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