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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Apr-2026 | PtCl3-E-keto-1bond | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2366.30724464; eV | |||
 | 21-Apr-2026 | PtCl3-B-2xepo-1bond | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2027.70322907; eV | |||
 | 21-Apr-2026 | PtCl3-B-2xepo-2bonds | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2028.20924348; eV | |||
 | 21-Apr-2026 | PtCl2-E-keto | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2364.79900308; eV | |||
 | 21-Apr-2026 | PtCl-B-2xepo-bidentate | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2023.07661509; eV | |||
 | 21-Apr-2026 | PtCl4-B-hyd-failed | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2031.54684797; eV | |||
 | 21-Apr-2026 | PtCl4-B-epo-failed | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2026.18049079; eV | |||
 | 21-Apr-2026 | PtCl4-B-2xketo | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1989.28790704; eV | |||
 | 21-Apr-2026 | PtCl4-B-2xhyd | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2039.94969683; eV | |||
 | 21-Apr-2026 | PtCl4-E-carb | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2389.02406789; eV |
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