1. Institute of Chemical Research of Catalonia

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Showing results 22042 to 22061 of 63047 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-OCHO-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--531.17429019; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-OCHO-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--531.45575781; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-OCHO-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--531.00475879; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-OCHO-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--531.17291502; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-OCHO-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--531.45338073; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-OH-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--514.67837032; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-OH-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--514.75516010; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-OH-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--514.94297034; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-OH-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--515.24189084; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-OH-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--514.71258164; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-OH-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--514.85778494; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-OH-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--515.11409883; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-phen-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--813.79660343; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-phen-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--814.02901476; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-phen-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--814.39551419; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-phen-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--814.89577310; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-phen-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--813.69855125; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-phen-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--813.73528449; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-phen-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--813.90738818; 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
Showing results 22042 to 22061 of 63047 < previous   next >