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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-May-2022/CuAg Cu(111)-3x3-Ag-5-CHCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--154.14599187; eV
thumbnail.jpeg28-May-2022/CuAg Cu(100)-3x3-Ag-5-CHODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--142.60400022; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Ni/CH2F2 lesserPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--212.75745297; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Ni/CH2F topPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--208.39534404; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Ni/CCl fccPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--200.02265637; eV
thumbnail.jpeg6-Aug-2020/opt/intermediates/Ni/CCl hcpPablo-García, Sergiovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--200.02676876; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard 3O-doped-Ni(100)-3x3-Clean-U-3_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--297.02691061; eV
thumbnail.jpeg19-Jan-2022/benchmark-Hubbard 3O-doped-Ni(100)-3x3-Clean-U-1_0Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--387.90710668; eV
thumbnail.jpeg28-May-2022/CuAg Cu(111)-3x3-Ag-5-CH2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--157.66501743; eV
thumbnail.jpeg28-May-2022/CuAg Cu(100)-3x3-Ag-5-CH2-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--154.67449149; eV
Results 11511-11520 of 37977 (Search time: 0.016 seconds).