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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-15-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--344.29479624; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-20-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--336.37426284; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-10-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--352.94127932; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-20-surface-energyDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--328.71193145; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-15-surface-energyDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--339.39268210; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-1-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--373.34004700; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-2-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--372.40110122; eV
thumbnail.jpeg19-Jan-2022/surface-strain Ni(100)-3x3-strained-0-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--374.04825487; eV
thumbnail.jpeg19-Jan-2022/benchmark-C4-hydrocarbons 2O-doped-Ni(100)-3x3-Clean-U-5_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--211.99840372; eV
thumbnail.jpeg19-Jan-2022/benchmark-C4-hydrocarbons 2O-doped-Ni(100)-3x3-Clean-U-6_3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--178.79223961; eV
Results 161-170 of 817 (Search time: 0.001 seconds).