1. Institute of Chemical Research of Catalonia

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Showing results 15790 to 15809 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ir/111 ir-a801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--530.92541296; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-8611-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--353.22300155; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-8612-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--353.29317126; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-86S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--351.62762728; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-86S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--351.59574125; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-87N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--359.15158835; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-87N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--359.17811232; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-97N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--368.73626009; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-97N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--368.77649214; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-9801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--363.60544329; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-9802-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--363.61069354; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-a801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--373.43905938; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/os/0001 os-8611-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.70148202; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/os/0001 os-8612-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.52612612; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/os/0001 os-86S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.97528403; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/os/0001 os-86S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.06446481; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/os/0001 os-87N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.28105381; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/os/0001 os-87N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.61621885; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/os/0001 os-97N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--636.83818708; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/os/0001 os-97N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--636.68969143; eV
Showing results 15790 to 15809 of 63063 < previous   next >