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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(29)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-onlyGeometry optimizationDFT--857.13362929; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(31)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--857.05794417; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(28)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--857.13089733; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(32)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--857.05643614; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-2O Pt+2O_(33)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--856.99315560; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-2O Pt02ODaelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--856.91086238; eV
thumbnail.jpeg23-Jul-2018/Pristine_surfaces 4ODaelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--850.46366733; eV
thumbnail.jpeg23-Jul-2018/Pristine_surfaces 3ODaelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--850.85554632; eV
thumbnail.jpeg23-Jul-2018/Pristine_surfaces 2ODaelman, Nathanvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimizationDFT--851.15724855; eV
thumbnail.jpeg23-Jul-2018/Single-atom_Pt_CeO2/Pt-2O Pt++2O_(31,32)Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--856.67949672; eV
Results 1-10 of 107 (Search time: 0.001 seconds).