1. Institute of Chemical Research of Catalonia

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Showing results 12016 to 12035 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-O-CHCH2COHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--221.54040194; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-OCHCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--204.06684542; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-OCHCH2-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--219.58508375; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-OCHCH2-COHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--223.43794314; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--178.71692205; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--178.54383395; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CH-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--194.20898113; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--182.43394829; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CH2-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--198.40893051; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CH2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--198.40958861; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CH3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--186.61111216; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CH3-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--202.42351753; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CH3CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--202.40256535; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CHCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--195.45595315; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CHODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--185.36896699; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--167.21526228; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--182.39898838; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-CO-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--198.19767312; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--197.02230303; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-4-COHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--185.25308766; eV
Showing results 12016 to 12035 of 63196 < previous   next >