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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Jun-2023/HCOO-stabilization PdMLPt(111)-(3x3)-Clean-HCOODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--287.65763138; eV
thumbnail.jpeg19-Jun-2023/HCOO-stabilization PdMLPt(111)-(3x3)-near-K-5H2O-H-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--359.74535521; eV
thumbnail.jpeg13-Apr-2023/hydride-formation Pt(111)-(3x3)-K-OH-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--339.77106987; eV
thumbnail.jpeg13-Apr-2023/hydride-formation Pd(111)-(3x3)-K-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--310.29043608; eV
thumbnail.jpeg13-Apr-2023/hydride-formation Pt(111)-(3x3)-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--268.21898329; eV
thumbnail.jpeg13-Apr-2023/hydride-formation Pd(111)-(3x3)-K-OH-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--304.58149966; eV
thumbnail.jpeg13-Apr-2023/hydride-formation PdMLPt(111)-(3x3)-K-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--341.95880032; eV
thumbnail.jpeg13-Apr-2023/hydride-formation PdMLPt(111)-(3x3)-K-OH-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--336.15556013; eV
thumbnail.jpeg13-Apr-2023/hydride-formation Pt(111)-(3x3)-K-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--349.60813903; eV
thumbnail.jpeg13-Apr-2023/hydride-formation Pt(111)-(3x3)-K-H-OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--343.60216960; eV
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