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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Apr-2023/outer-shell-CO2-activation PdMLPt(111)-(3x3)-HCOODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--287.63441579; eV
thumbnail.jpeg13-Apr-2023/outer-shell-CO2-activation PdMLPt(111)-(3x3)-K-HCOODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--364.79451178; eV
thumbnail.jpeg13-Apr-2023/outer-shell-CO2-activation PdMLPt(111)-(3x3)-K-OH-H-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--359.21173627; eV
thumbnail.jpeg13-Apr-2023/outer-shell-CO2-activation PdMLPt(111)-(3x3)-K-OH-HCOODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--358.71657466; eV
thumbnail.jpeg13-Apr-2023/hydride-formation-HC PdMLPt(111)-(3x3)-K-CO-050-ML-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--227.19722169; eV
thumbnail.jpeg13-Apr-2023/hydride-formation-HC PdMLPt(111)-(3x3)-CO-050-ML-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--152.15137824; eV
thumbnail.jpeg13-Apr-2023/hydride-formation-HC PdMLPt(111)-(3x3)-K-CO-075-ML-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--243.21264601; eV
thumbnail.jpeg13-Apr-2023/hydride-formation-HC PdMLPt(111)-(3x3)-CO-075-ML-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--167.93620543; eV
thumbnail.jpeg13-Apr-2023/hydride-formation-HC PdMLPt(111)-(3x3)-K-OH-CO-050-ML-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--222.63940532; eV
thumbnail.jpeg13-Apr-2023/hydride-formation-HC PdMLPt(111)-(3x3)-K-OH-CO-075-ML-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--238.93527792; eV
Results 61-70 of 4109 (Search time: 0.002 seconds).