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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_(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 | /Molecular_Dynamics Pt2O_MD | Daelman, Nathan | vasp; 5.3.5; 31Mar14 (build May 15 2015 09:43:55) complex | Ab-Initio Molecular Dynamics | DFT | - | -384.08253511; eV | ||||
23-Jul-2018 | /Molecular_Dynamics Pt3O_MD | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -381.59336865; eV | ||||
23-Jul-2018 | /Molecular_Dynamics Pt4O_MD | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -383.45469560; 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 21-30 of 183 (Search time: 0.001 seconds).