1. Institute of Chemical Research of Catalonia

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Showing results 19347 to 19366 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Apr-2023/hydride-formation Pd(111)-(3x3)-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--233.05293514; eV
thumbnail.jpeg13-Apr-2023/hydride-formation Pd(111)-(3x3)-K-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--306.24771012; 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 Pd(111)-(3x3)-K-OH-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--300.56570390; 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)-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--260.80420629; eV
thumbnail.jpeg13-Apr-2023/hydride-formation PdMLPt(111)-(3x3)-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--264.75044818; eV
thumbnail.jpeg13-Apr-2023/hydride-formation PdMLPt(111)-(3x3)-K-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--337.96512502; 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-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--332.22277490; 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)-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 Pt(111)-(3x3)-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--272.06977147; eV
thumbnail.jpeg13-Apr-2023/hydride-formation Pt(111)-(3x3)-K-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--345.78309568; 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
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-HC PdMLPt(111)-(3x3)-CO-050-ML-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--148.62149866; 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)-CO-075-ML-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--165.10146818; eV
Showing results 19347 to 19366 of 62999 < previous   next >