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Showing results 11755 to 11774 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-CH2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--125.25438318; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-CH3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--113.20400421; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-CH3-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--128.29719308; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-CH3CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--129.17400281; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-CHCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--121.34285554; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-CHODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--112.10566492; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--94.09098956; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--109.03215884; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-CO-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--123.94818932; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--124.12307763; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-COHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--110.89007439; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--99.47516768; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-O-CHCH2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--142.75334460; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-O-CHCH2COHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--149.09705840; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-OCHCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--129.36049653; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-OCHCH2-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--144.44447945; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-OCHCH2-COHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--146.19422871; eV
thumbnail.jpeg28-May-2022/CuAg Ag(111)-3x3-OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--104.40564019; eV
thumbnail.jpeg28-May-2022/CuAg Ag(711)-3x3-CHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--133.97209529; eV
thumbnail.jpeg28-May-2022/CuAg Ag(711)-3x3-CH-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--148.73916959; eV