1. Institute of Chemical Research of Catalonia

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Showing results 16815 to 16834 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/ni/111 ni-4bN6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--337.41815081; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/ni/111 ni-4bN7-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--337.06260440; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-13N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--547.79918833; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-15N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--555.80207659; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-25N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--564.81606240; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-25N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--563.92699981; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-27N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--572.47500414; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-27N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--572.14360610; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-37N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--581.08640778; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-37N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--580.61025816; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-37N3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--580.68870919; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-37N4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--581.27050271; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-37N5-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--581.33337607; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-39N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--589.15015135; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-39N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--589.20212001; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-39N3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--588.72912873; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-39N4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--588.43685399; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-49N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--597.62759841; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-49N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--597.74362318; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/os/0001 os-49N3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--597.30293056; eV
Showing results 16815 to 16834 of 63196 < previous   next >