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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Apr-2026 | Ru-B-4xketo | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1958.08592511; eV | |||
 | 21-Apr-2026 | RuCl3-E-keto-1bond-higherCN | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2370.47728931; eV | |||
 | 21-Apr-2026 | RuCl3-B-4xketo-1bond-failed | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1965.83791307; eV | |||
 | 21-Apr-2026 | RuCl3-B-2xhyd-failed | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2043.27548708; eV | |||
 | 21-Apr-2026 | RuCl3-B-4xketo-2bonds | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1965.83664339; eV | |||
 | 21-Apr-2026 | RuCl3-B-2xketo-1bond | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1990.30970742; eV | |||
 | 21-Apr-2026 | RuCl3-B-2xketo-2bonds | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1990.63579372; eV | |||
 | 21-Apr-2026 | RuCl3-B-hyd-failed | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2032.72531611; eV | |||
 | 21-Apr-2026 | RuCl3-B-epo-failed | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2029.07160177; eV | |||
 | 21-Apr-2026 | RuCl3-E-carb | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2390.43397431; eV |
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