1. Institute of Chemical Research of Catalonia

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Showing results 17586 to 17605 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ir/111 ir-49Y6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--492.04465995; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ni/111 ni-13Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--285.08316907; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ni/111 ni-25Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--301.93314491; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ni/111 ni-25Y2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--301.87694905; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ni/111 ni-37Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--318.15109607; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ni/111 ni-37Y2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--318.45634680; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ni/111 ni-37Y3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--318.55704109; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ni/111 ni-49Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--335.29858298; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ni/111 ni-49Y2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--335.22769705; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ni/111 ni-49Y3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--335.10468985; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ni/111 ni-49Y4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--335.21089640; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ni/111 ni-49Y5-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--334.91560553; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/ni/111 ni-49Y6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--335.16451906; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/os/0001 os-13Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--553.08240511; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/os/0001 os-25Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--569.87762406; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/os/0001 os-25Y2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--569.86804826; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/os/0001 os-37Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--586.12495942; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/os/0001 os-37Y2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--586.45185320; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/os/0001 os-37Y3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--586.58332142; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/oximes/os/0001 os-49Y1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--603.21775521; eV
Showing results 17586 to 17605 of 63196 < previous   next >