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Showing results 11926 to 11945 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-May-2022/CuAg Cu(111)-3x3-OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--139.32739024; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--179.66339827; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CH-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--195.37261809; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--183.06532118; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CH2-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--199.39615460; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CH2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--199.57369528; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CH3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--187.77780349; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CH3-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--203.93081851; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CH3CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--203.83428396; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CHCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--196.38702818; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CHODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--186.69508173; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--168.15416951; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--183.85885736; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-CO-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--199.62584096; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--198.17981313; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-COHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--186.49840582; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--174.60442351; eV
thumbnail.jpeg28-May-2022/CuAg Cu(711)-3x3-Ag-2-O-CHCH2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--218.47353437; eV
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