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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-2O Pt++2O_(35,36) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -856.54063469; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(28,32) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.36428126; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(28,35) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.13166781; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(28,31) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.30442088; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(28,34) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex | Geometry optimization | DFT | - | -857.12320226; eV | |||
 | 23-Jul-2018 | /Single-atom_Pt_CeO2/Pt-4O Pt++4O_(28,33) | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -857.14999146; eV | |||
 | 23-Jul-2018 | /Pristine_surfaces 4O | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -850.46366733; eV |
Results 91-97 of 97 (Search time: 0.001 seconds).