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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_(28) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex | Geometry optimization | DFT | - | -856.22310356; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt03O | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex | Geometry optimization | DFT | - | -856.11419688; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(28,31) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -855.87805172; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(28,33) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.25761323; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt+3O_(35) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex | Geometry optimization | DFT | - | -855.87506076; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt+3O_(33) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex | Geometry optimization | DFT | - | -856.04014312; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt+3O_(32) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex | Geometry optimization | DFT | - | -855.77449235; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt+3O_(31) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex | Geometry optimization | DFT | - | -856.09381888; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(29,36) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -856.19353230; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-3O Pt++3O_(28,34) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.32755703; eV |
Results 21-30 of 97 (Search time: 0.001 seconds).