1. Institute of Chemical Research of Catalonia

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Showing results 22122 to 22141 of 63313 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-2CuCO3-1Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--438.61632569; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-2CuCO3-2Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--424.55867168; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-2HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--345.27687133; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-2OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--359.94492996; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-C2O4Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--383.68420337; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-CleanDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--338.02853088; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--353.79932761; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-CO3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--368.26065393; eV
thumbnail.jpeg11-Sep-2023/intermediates Cu(711)-1x6-Cu(dmphen)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--715.02717505; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-Cu(phen)Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--647.38824825; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-Cu2CODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--395.59100965; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-Cu2OHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--384.97162164; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-CuCODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--395.72420859; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-CuHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--382.73946218; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-CuHCO3Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--399.51752736; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-CuOCHODattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--392.54211010; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-CuOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--390.23705396; eV
thumbnail.jpeg17-Jul-2022/intermediates Cu(711)-1x6-CuOOHDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--393.93276294; eV
thumbnail.jpeg11-Sep-2023/intermediates Cu(711)-1x6-dmphenDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--714.71544062; eV
thumbnail.jpeg15-Feb-2022/intermediates Cu(711)-1x6-HDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--341.65425040; eV
Showing results 22122 to 22141 of 63313 < previous   next >