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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-Clean-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--338.36062146; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CO-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--545.83949536; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CO-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--545.80240916; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CO-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--545.87391553; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CO-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--546.05396775; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-C2O4-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--559.90117032; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CO-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--546.34255317; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-C2O4-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--559.70038981; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-2OH-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--360.25570956; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-C2O4-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--559.60995914; eV
Results 1441-1450 of 1511 (Search time: 0.003 seconds).