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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(29,30) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.15681442; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(29,31) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.58375078; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(28,35) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -855.62499696; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(28,36) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.21901754; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(29,34) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.41576019; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(30,33) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -855.78991838; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(30,34) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.40167436; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(31,32) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.29197937; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(30,32) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -855.58556356; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(30,31) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.53807384; eV |
Results 31-40 of 97 (Search time: 0.001 seconds).