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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Ni3Al(100)-p(3x3)-Ni-COCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--403.90198304; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Ni3Al(100)-p(3x3)-Ni-COCHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--400.38105098; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Ni3Al(100)-p(3x3)-Ni-2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--404.71854097; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Ni3Al(100)-p(3x3)-Ni-CO-CH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--404.17789471; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Ni3Al(100)-p(3x3)-Ni-CO-CHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--401.49628355; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Ni3Al(100)-p(3x3)-Ni-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--388.05921799; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Ni3Al(100)-p(3x3)-Ni-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--374.93129463; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl Ni3Al(100)-p(3x3)-Ni-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--371.05209852; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Cu-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--332.29913954; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Cu-COCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--333.88959137; eV
Results 81-90 of 2401 (Search time: 0.002 seconds).