1. Institute of Chemical Research of Catalonia

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Showing results 15097 to 15116 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZ9-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.37192172; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZa-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.48381771; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZb-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.47150866; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZc-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.44788966; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZd-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.14641671; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZe-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.50631056; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZf-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.52685421; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZg-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.19203318; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZh-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.22999272; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZi-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.05717382; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZj-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.25647153; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZk-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.12548653; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZl-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--125.73646904; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZm-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--125.62837479; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZn-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.21477987; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cd/0001 cd-4aZo-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--126.20998594; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cu/111 cu-14Z1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--212.56609150; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cu/111 cu-26Z1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--228.97578780; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cu/111 cu-26Z2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--229.40069058; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/cu/111 cu-26Z3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--228.49935991; eV
Showing results 15097 to 15116 of 63196 < previous   next >