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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Apr-2026 | Au-B-2xepo | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2015.83037282; eV | |||
 | 21-Apr-2026 | AuCl3-B-2xhyd-failed | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2034.31947482; eV | |||
 | 21-Apr-2026 | AuCl3-B-2xketo-1bond | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1984.33087581; eV | |||
 | 21-Apr-2026 | AuCl2-B-2xketo-OO | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1981.58423915; eV | |||
 | 21-Apr-2026 | AuCl2-B-2xketo-OC | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1981.85745526; eV | |||
 | 21-Apr-2026 | AuCl3-B-2xepo-2bonds | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2024.20142763; eV | |||
 | 21-Apr-2026 | AuCl3-B-2xepo-1bond | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2024.97896150; eV | |||
 | 21-Apr-2026 | AuCl2-B-4xketo | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1956.66194290; eV | |||
 | 21-Apr-2026 | AuCl2-E-keto | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2361.60121821; eV | |||
 | 21-Apr-2026 | AuCl2-B-2xepo | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -2023.10116525; eV |
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