1. Institute of Chemical Research of Catalonia

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Showing results 22406 to 22425 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-CuOH-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--390.63988678; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-H-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--341.65422439; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-H-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--341.68863854; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-H-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--341.79794907; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-H-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--341.98222202; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-H-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--341.69469545; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-H-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--341.81003853; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-H-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--342.00029228; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-HCO3-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--372.62335812; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-HCO3-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--372.64997736; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-HCO3-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--372.75477318; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-HCO3-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--372.93786103; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-HCO3-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--372.67476786; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-HCO3-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--372.80415180; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-HCO3-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--373.01148280; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-O-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--344.97482422; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-O-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--345.00048400; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-O-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--345.10088336; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-O-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--345.27610035; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(711)-1x6-O-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--345.02387944; eV
Showing results 22406 to 22425 of 62999 < previous   next >