1. Institute of Chemical Research of Catalonia

Browsing by Subject Imidazolium

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Showing results 1 to 20 of 64  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.jpeg5-Mar-2024/redCO2 Ag(111)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--94.09098956; eV
thumbnail.jpeg26-Mar-2024/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM+Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--298.45131932; eV
thumbnail.jpeg26-Mar-2024/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM+H+CO2-C3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--317.89291236; eV
thumbnail.jpeg26-Mar-2024/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM+H+CO2-C4Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--317.61646197; eV
thumbnail.jpeg26-Mar-2024/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM+H-C3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--295.18780938; eV
thumbnail.jpeg26-Mar-2024/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM+H-C4Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--294.98980147; eV
thumbnail.jpeg26-Mar-2024/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM-adsorption(+H)-C4Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--296.44158936; eV
thumbnail.jpeg26-Mar-2024/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM-adsorption+H-C3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--296.76745217; eV
thumbnail.jpeg26-Mar-2024/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM-C3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--297.09732718; eV
thumbnail.jpeg26-Mar-2024/redCO2 Ag(111)-(3x3)-BMIM(CH3)-CO2CH3-BMIM-C4Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--297.09773997; eV
Showing results 1 to 20 of 64  next >