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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Jan-2021/C-C-coupling Cu(100)-3sqrt2x3sqrt2-CleanDattila, Federicovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationDFT--320.44132838; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-B-U-1_75-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--71.20752153; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-B-U-1_25-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.27622611; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-B-U-1_50-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.05660515; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-T-U-1_50-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.00717804; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-B-U-1_75-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--71.32787768; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-6l-CO-T-U-1_50-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--102.09249392; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-B-U-2_00-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--71.02880016; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-T-U-2_00-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--71.15932904; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-T-U-2_00-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--70.98823438; eV
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