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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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(711)-1x4-2CuCO3-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--325.79846884; 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-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(100)-3x3-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--125.91518698; eV
Login required17-Jul-2022/benchmark-solvation Cu(711)-1x4-2CuCO3-2-H2ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--280.97326567; eV
Login required17-Jul-2022/benchmark-solvation Cu(111)-3x3-2CuCO3-2-H2ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--184.86791875; eV
Login required17-Jul-2022/benchmark-solvation Cu(111)-3x3-2CuCO3-5-H2ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--229.27580323; eV
Login required17-Jul-2022/benchmark-solvation Cu(711)-1x4-CuOH-1-H2ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--248.18545141; eV
Login required17-Jul-2022/benchmark-solvation Cu(111)-3x3-CuCO-3-H2ODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--186.10991059; eV
Results 1441-1450 of 1463 (Search time: 0.003 seconds).