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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-B-U-1_50-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--71.46746016; eV
thumbnail.jpeg12-Mar-2021/electric-field Cu(100)-6x2-10CO-6T4B-el-0_40Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--324.44651233; eV
thumbnail.jpeg12-Mar-2021/electric-field Cu(100)-6x2-10CO-6T4B-el-0_20Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--324.08406632; eV
thumbnail.jpeg12-Mar-2021/electric-field Cu(100)-5x2-8CO-2T6B-el-0_20Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--264.97138471; eV
thumbnail.jpeg12-Mar-2021/electric-field Cu(100)-5x2-8CO-2T6B-el-0_40Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--265.28115416; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-B-U-1_25-CDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--71.60648704; eV
thumbnail.jpeg12-Mar-2021/hubbard-correction Cu(100)-2x2-4l-CO-B-U-1_25-ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--71.56707903; eV
thumbnail.jpeg12-Mar-2021/C-C-coupling Cu(100)-3sqrt2x3sqrt2-COtCOt-2-CO(1)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--335.65046050; eV
thumbnail.jpeg12-Mar-2021/C-C-coupling Cu(100)-3sqrt2x3sqrt2-COtCOt-2-CO(2)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--335.21472361; eV
thumbnail.jpeg12-Mar-2021/C-C-coupling Cu(100)-3sqrt2x3sqrt2-COtCOt-3-CO(1)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--335.69193609; eV
Results 41-50 of 221 (Search time: 0.001 seconds).