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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(34,35)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--856.18276964; eV
thumbnail.jpeg23-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
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-3O Pt++3O_(33,36)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--856.37011318; eV
thumbnail.jpeg23-Jul-2018/Molecular_Dynamics Pt2O_MDDaelman, Nathanvasp; 5.3.5; 31Mar14 (build May 15 2015 09:43:55) complexAb-Initio Molecular DynamicsDFT--384.08253511; eV
thumbnail.jpeg23-Jul-2018/Molecular_Dynamics Pt3O_MDDaelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexAb-Initio Molecular DynamicsDFT--381.59336865; eV
thumbnail.jpeg23-Jul-2018/Molecular_Dynamics Pt4O_MDDaelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexAb-Initio Molecular DynamicsDFT--383.45469560; eV
thumbnail.jpeg23-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
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-4O Pt++4O_(35,36)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--857.28924644; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-3O Pt+3O_(30)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationDFT--856.03467039; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-3O Pt+3O_(29)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationDFT--855.97618615; eV
Results 21-30 of 183 (Search time: 0.001 seconds).