1. Institute of Chemical Research of Catalonia

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Showing results 15699 to 15718 of 63313 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-4411-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--228.35509132; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-44S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--226.23739033; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-44S1-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--226.23871447; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-45N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--234.42633524; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-45N1-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--234.42239135; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-55N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--243.48792916; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-55N1-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--243.45857296; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-5601-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--238.31035053; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-5601-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--238.29804122; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-6601-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--247.93280671; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-6601-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--248.01884790; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-6611-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--254.83453045; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-6611-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--254.89024551; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-66S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--252.15386386; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-66S1-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--252.15911990; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-67N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--260.48464117; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-67N1-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--260.45394140; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-7801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--264.81962102; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-7801-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--264.81820088; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics/cu/111 cu-8a01-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--281.52788721; eV
Showing results 15699 to 15718 of 63313 < previous   next >