1. Institute of Chemical Research of Catalonia

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Showing results 5100 to 5119 of 63313 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-Cu-CO-CH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--316.21539254; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-Cu-COCHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--312.57651064; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-Cu-COCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--316.13755686; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-Cu-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--315.14056774; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-Cu-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--288.39721469; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-CuPd-2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--317.56440247; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-CuPd-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--284.76430531; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-CuPd-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--301.00821061; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-CuPd-CO-CHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--312.97201687; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-CuPd-CO-CH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--316.67848400; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-CuPd-COCHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--312.74284847; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-CuPd-COCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--316.60969962; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-CuPd-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--314.72304586; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-CuPd-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--288.61459720; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Cu3Pd-bulkDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--16.80929410; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Cu-2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--334.07970450; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Cu-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--302.35615110; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Cu-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--318.23091709; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Cu-CO-CHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--330.14782041; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Cu-CO-CH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--333.36137669; eV
Showing results 5100 to 5119 of 63313 < previous   next >