1. Institute of Chemical Research of Catalonia

Browsing by Subject Carbon monoxide

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Showing results 1 to 20 of 397  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Aug-2024/beyond-Ag Au(111)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--112.83102963; eV
thumbnail.jpeg10-Aug-2024/beyond-Ag Au(111)-(3x3)-BMIM-CO2CH3-BMIM+HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
thumbnail.jpeg10-Aug-2024/beyond-Ag Au(111)-(3x3)-BMIM-CO2CH3-BMIM-adsorption(+H)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
thumbnail.jpeg10-Aug-2024/beyond-Ag Au(111)-(3x3)-EMIM-CO2CH3-EMIM+HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
thumbnail.jpeg10-Aug-2024/beyond-Ag Au(111)-(3x3)-EMIM-CO2CH3-EMIM-adsorption(+H)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--
thumbnail.jpeg10-Aug-2024/beyond-Ag Cu(111)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--
thumbnail.jpeg10-Aug-2024/beyond-Ag Cu(111)-(3x3)-BMIM-CO2CH3-BMIM+HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--
thumbnail.jpeg10-Aug-2024/beyond-Ag Cu(111)-(3x3)-BMIM-CO2CH3-BMIM-adsorption(+H)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--
thumbnail.jpeg10-Aug-2024/beyond-Ag Cu(111)-(3x3)-EMIM-CO2CH3-EMIM+HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--
thumbnail.jpeg10-Aug-2024/beyond-Ag Cu(111)-(3x3)-EMIM-CO2CH3-EMIM-adsorption(+H)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--
thumbnail.jpeg3-Apr-2023/Bulk PdDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--20.87370980; eV
thumbnail.jpeg3-Apr-2023/Bulk PtDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--24.38994047; eV
thumbnail.jpeg13-Apr-2023/CO2-activation-3H2O Pd(111)-(3x3)-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--252.04506128; eV
thumbnail.jpeg13-Apr-2023/CO2-activation-3H2O Pd(111)-(3x3)-K-3H2O-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--298.24934400; eV
thumbnail.jpeg13-Apr-2023/CO2-activation-3H2O PdMLPt(111)-(3x3)-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--283.76753429; eV
thumbnail.jpeg13-Apr-2023/CO2-activation-3H2O PdMLPt(111)-(3x3)-K-3H2O-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--330.18251400; eV
thumbnail.jpeg13-Apr-2023/CO2-activation-3H2O Pt(111)-(3x3)-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--291.06773003; eV
thumbnail.jpeg13-Apr-2023/CO2-activation-3H2O Pt(111)-(3x3)-K-3H2O-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--337.98660827; eV
thumbnail.jpeg13-Apr-2023/CO2-activation-5H2O 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/CO2-activation-5H2O PdMLPt(111)-(3x3)-CO2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--283.76753429; eV
Showing results 1 to 20 of 397  next >