1. Institute of Chemical Research of Catalonia

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Showing results 15380 to 15399 of 63313 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-4aZj-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--341.93551747; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-4aZk-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--341.55316996; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-4aZl-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--341.60767651; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-4aZm-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--341.27532777; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-4aZn-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--341.83979150; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-4aZo-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--341.76827234; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-14Z1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--560.28117378; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-26Z1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--576.94281748; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-26Z2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--577.36978979; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-26Z3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--576.64292422; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-26Z4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--576.57551975; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-38Z1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.79304446; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-38Z2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.97742636; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-38Z3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.41974618; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-38Z4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.92350906; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-38Z5-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.71846426; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-38Z6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.18421907; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-38Z7-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.06109800; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-38Z8-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.33649218; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/os/0001 os-38Z9-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.30773001; eV
Showing results 15380 to 15399 of 63313 < previous   next >