1. Institute of Chemical Research of Catalonia

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Showing results 15379 to 15398 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/pt/111 pt-4aZi-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--373.75355325; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/pt/111 pt-4aZj-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--374.02638946; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/pt/111 pt-4aZk-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--373.14790354; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/pt/111 pt-4aZl-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--373.26062099; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/pt/111 pt-4aZm-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--373.29084103; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/pt/111 pt-4aZn-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--373.92290614; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/pt/111 pt-4aZo-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--373.78663051; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-14Z1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--374.97305455; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-26Z1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--391.77601461; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-26Z2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--392.20084440; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-26Z3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--391.41497750; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-26Z4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--391.13725936; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-38Z1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--408.42753333; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-38Z2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--408.79817151; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-38Z3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--408.36575188; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-38Z4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--408.52701050; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-38Z5-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--408.43970902; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-38Z6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--408.16516926; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-38Z7-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--407.90963180; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amidines/rh/111 rh-38Z8-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--408.17372862; eV
Showing results 15379 to 15398 of 63196 < previous   next >