Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Al-COCH2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--377.85540324; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Al-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--343.87800474; eV
thumbnail.jpeg28-May-2022/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Ni-COCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--376.47767007; eV
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
Results 61-70 of 2401 (Search time: 0.001 seconds).