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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Ni-COCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--376.88551173; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Ni-COCHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--372.70336520; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Ni-2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--377.72324296; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Ni-CO-CH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--377.10152762; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Ni-CO-CHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--373.95414977; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Ni-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--361.05417543; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Ni-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--348.22881705; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Ni-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--344.28736614; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Ni3Al(100)-p(3x3)-NiAl-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--402.21331005; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Ni3Al(100)-p(3x3)-NiAl-COCHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--398.88399818; eV
Results 71-80 of 5271 (Search time: 0.003 seconds).