1. Institute of Chemical Research of Catalonia

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Showing results 21967 to 21986 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-Clean-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--503.72866973; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-Clean-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--503.89191155; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-Clean-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--504.16610130; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--519.53567786; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--519.58251958; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--519.74116267; eV
thumbnail.jpeg15-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--520.01170900; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--519.60059800; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--519.77726226; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--520.06570820; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO3-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--534.05182153; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO3-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--534.03872664; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO3-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--534.13853796; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO3-E-n03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--534.35146646; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO3-E-p01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--534.17769449; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO3-E-p02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--534.41619740; eV
thumbnail.jpeg14-Feb-2022/intermediates-electric-field Cu(100)-6x6-CO3-E-p03Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--534.76725845; eV
thumbnail.jpeg11-Sep-2023/intermediates-electric-field Cu(100)-6x6-Cu(dmphen)-E-00Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--880.56642416; eV
thumbnail.jpeg11-Sep-2023/intermediates-electric-field Cu(100)-6x6-Cu(dmphen)-E-n01Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--880.87693664; eV
thumbnail.jpeg11-Sep-2023/intermediates-electric-field Cu(100)-6x6-Cu(dmphen)-E-n02Dattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--881.33369399; eV
Showing results 21967 to 21986 of 62999 < previous   next >