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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jul-2018/Reaction_Paths/CO-oxidation/2O II_OS2Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--872.76976970; eV
thumbnail.jpeg23-Jul-2018/Reaction_Paths/CO-oxidation/2O II_OS0Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--871.98256134; eV
thumbnail.jpeg23-Jul-2018/Reaction_Paths/CO-oxidation/2O IIIa_OS2Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--883.00291669; eV
thumbnail.jpeg23-Jul-2018/Reaction_Paths/CO-oxidation/2O IIIa_OS0Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--883.03085169; eV
thumbnail.jpeg23-Jul-2018/Reaction_Paths/CO-oxidation/4O Pt-CODaelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--872.18538953; eV
thumbnail.jpeg23-Jul-2018/Reaction_Paths/CO-oxidation/2O TSa_OS0Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--882.65025168; eV
thumbnail.jpeg23-Jul-2018/Reaction_Paths/CO-oxidation/2O TSa_OS2Daelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--881.59875664; eV
thumbnail.jpeg23-Jul-2018/Reaction_Paths/CO-oxidation/2O IVDaelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexGeometry optimizationDFT--862.52821854; eV
thumbnail.jpeg23-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
thumbnail.jpeg23-Jul-2018/Reaction_Paths/CO-oxidation/2O TSbDaelman, Nathanvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complexSingle pointDFT--882.01144283; eV
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