1. Institute of Chemical Research of Catalonia

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Showing results 14771 to 14790 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ir/111 ir-49X7-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--493.90267483; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ir/111 ir-49X8-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--493.67638530; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-13X1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--286.73524210; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-25X1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--303.13606212; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-25X2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--303.84849473; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-37X1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--319.97802800; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-37X2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--320.46014914; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-37X3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--319.79291179; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-37X4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--319.98392426; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-49X1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--336.72297136; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-49X2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--336.67762510; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-49X3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--337.16619261; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-49X4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--337.08550313; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-49X5-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--336.41222164; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-49X6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--336.96804442; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-49X7-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--336.68116240; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/ni/111 ni-49X8-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--336.54464294; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/os/0001 os-13X1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--554.63176549; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/os/0001 os-25X1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--571.01067638; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/os/0001 os-25X2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--571.76981249; eV
Showing results 14771 to 14790 of 62999 < previous   next >