1. Institute of Chemical Research of Catalonia

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Showing results 15137 to 15156 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ir/111 ir-4aZm-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--498.64241195; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ir/111 ir-4aZn-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--499.19081292; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ir/111 ir-4aZo-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--499.18815779; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-14Z1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--292.38660890; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-26Z1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--308.85819704; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-26Z2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--309.28046033; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-26Z3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--308.42465002; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-26Z4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--308.38701396; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-38Z1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.53367815; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-38Z2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.89468273; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-38Z3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.45167361; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-38Z4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.47657594; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-38Z5-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.46513805; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-38Z6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.26437930; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-38Z7-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.02533369; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-38Z8-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.30398726; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-38Z9-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--325.03449406; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-38Za-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--324.93193842; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-4aZ1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--342.18264516; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/ni/111 ni-4aZ2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--342.27085984; eV
Showing results 15137 to 15156 of 63063 < previous   next >