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Showing results 22102 to 22121 of 62969 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuC2O4-2-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--614.00379418; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuCO3-1-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--613.17475093; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuCO3-1-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--613.27969474; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuCO3-1-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--613.17952366; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuCO3-1-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--613.30490655; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuCO3-1-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--613.56969361; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuCO3-2-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--598.41327505; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuCO3-2-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--598.52050756; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuCO3-2-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--598.72790201; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuCO3-2-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--599.11105721; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuCO3-2-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--598.43130714; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuCO3-2-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--598.57448729; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2CuCO3-2-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--598.84300136; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2H-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--521.66140809; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2H-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--521.71416843; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2H-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--521.87321382; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2H-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--522.13860754; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2H-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--521.71490184; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2H-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--521.87466234; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(111)-6x6-2H-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--522.14073732; eV