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Showing results 22047 to 22066 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-H-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--507.51235753; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-H-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--507.78732253; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-HCO3-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--538.13165236; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-HCO3-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--538.19324868; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-HCO3-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--538.36794052; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-HCO3-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--538.65586936; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-HCO3-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--538.18307273; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-HCO3-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--538.34746336; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-HCO3-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--538.62484097; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-O-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--510.66656482; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-O-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--510.71666807; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-O-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--510.87727516; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-O-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--511.14851166; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-O-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--510.72692272; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-O-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--510.89772063; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-O-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--511.17900617; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-OCHO-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--530.94889420; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-OCHO-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--531.00537778; eV
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