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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jul-2018 | /Reaction_Paths (Pt-vac)3O | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex | Geometry optimization | DFT | - | -850.71918109; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(33,34) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.40827385; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(32,36) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.04260219; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(34,35) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.18276964; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(34,36) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.37261109; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(33,36) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.37011318; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(34,36) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.30084193; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(35,36) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.28924644; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt+3O_(30) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex | Geometry optimization | DFT | - | -856.03467039; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt+3O_(29) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex | Geometry optimization | DFT | - | -855.97618615; eV |
Results 11-20 of 97 (Search time: 0.001 seconds).