1. Institute of Chemical Research of Catalonia

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Showing results 22062 to 22081 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CuOCHO-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--557.96935783; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CuOCHO-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--558.10167492; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CuOCHO-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--558.35263354; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CuOH-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--555.72577871; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CuOH-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--555.77802183; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CuOH-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--555.95630195; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CuOH-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--556.26708917; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CuOH-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--555.79147130; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CuOH-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--555.97525051; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CuOH-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--556.27529494; eV
thumbnail.jpeg11-Sep-2023/intermediates-electric-field Cu(100)-6x6-dmphen-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--880.12121220; eV
thumbnail.jpeg11-Sep-2023/intermediates-electric-field Cu(100)-6x6-dmphen-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--880.29273257; eV
thumbnail.jpeg11-Sep-2023/intermediates-electric-field Cu(100)-6x6-dmphen-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--880.59584771; eV
thumbnail.jpeg11-Sep-2023/intermediates-electric-field Cu(100)-6x6-dmphen-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--881.03076686; eV
thumbnail.jpeg11-Sep-2023/intermediates-electric-field Cu(100)-6x6-dmphen-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--880.17299332; eV
thumbnail.jpeg11-Sep-2023/intermediates-electric-field Cu(100)-6x6-dmphen-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--880.39657507; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-H-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--507.29454972; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-H-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--507.35155004; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-H-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--507.51917097; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-H-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--507.79750404; eV
Showing results 22062 to 22081 of 63063 < previous   next >