1. Institute of Chemical Research of Catalonia

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Showing results 4955 to 4974 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Pd-COCHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--309.63039658; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Pd-COCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--314.14893022; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Pd-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--314.00286489; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd(100)-p(3x3)-Pd-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--285.78644039; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd-bulkDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--8.56786346; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--356.95367588; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--324.31967923; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--340.66864855; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-CO-CHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--352.74916732; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-CO-CH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--356.45092109; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-COCHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--351.70403502; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-COCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--356.07640898; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--354.87070347; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-AuPd-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--328.06096537; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-Pd-2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--358.12105851; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-Pd-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--324.34797304; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-Pd-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--341.27621269; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-Pd-CO-CHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--353.94946596; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-Pd-CO-CH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--357.46323870; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl AuPd3(100)-p(3x3)-Pd-COCHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--352.84563610; eV
Showing results 4955 to 4974 of 63063 < previous   next >