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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required23-Jul-2018/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(31,33)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--857.47209346; eV
Login required23-Jul-2018/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(28,35)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--857.13166781; eV
Login required23-Jul-2018/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(28,36)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--857.32541942; eV
Login required23-Jul-2018/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(30,32)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--855.58556356; eV
Login required23-Jul-2018/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(28,33)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--856.25761323; eV
Login required23-Jul-2018/Reaction_Paths/CO-oxidation/2O IIIbDaelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--883.61411905; eV
Login required23-Jul-2018/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(34,36)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--857.30084193; eV
Login required23-Jul-2018/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(30,36)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--856.81580173; eV
Login required23-Jul-2018/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(30,31)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--857.45085022; eV
Login required23-Jul-2018/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(34,36)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--856.37261109; eV
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