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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required17-Jul-2022/intermediates Cu(111)-3x3-CuCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--186.10991059; eV
Login required17-Jul-2022/intermediates Cu(111)-3x3-CO3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--158.02557593; eV
Login required17-Jul-2022/intermediates Cu(711)-1x4-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--241.10523876; eV
Login required17-Jul-2022/intermediates Cu(711)-1x4-OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--236.52013169; eV
Login required17-Jul-2022/intermediates Cu(111)-3x3-OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--139.34213651; eV
Login required17-Jul-2022/intermediates Cu(111)-3x3-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--144.32141440; eV
Login required17-Jul-2022/intermediates Cu(711)-1x4-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--225.35091355; eV
Login required17-Jul-2022/intermediates Cu(111)-3x3-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--128.61213432; eV
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