1. Institute of Chemical Research of Catalonia

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Showing results 17401 to 17420 of 63023 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ag/111 ag-37Y2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--192.38587425; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ag/111 ag-37Y3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--192.63427622; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ag/111 ag-49Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--209.09951235; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ag/111 ag-49Y2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--209.02282864; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ag/111 ag-49Y3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--208.89725525; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ag/111 ag-49Y4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--209.03168061; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ag/111 ag-49Y5-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--209.12129653; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ag/111 ag-49Y6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--209.13922061; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/au/111 au-13Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--184.39008389; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/au/111 au-25Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--201.25332782; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/au/111 au-25Y2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--201.27456855; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/au/111 au-37Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--217.68992892; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/au/111 au-37Y2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--217.86335579; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/au/111 au-37Y3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--218.10128641; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/au/111 au-49Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--234.59334614; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/au/111 au-49Y2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--234.49998304; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/au/111 au-49Y3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--234.35342980; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/au/111 au-49Y4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--234.50634282; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/au/111 au-49Y5-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--234.58616277; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/au/111 au-49Y6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--234.59121783; eV
Showing results 17401 to 17420 of 63023 < previous   next >