1. Institute of Chemical Research of Catalonia

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Showing results 15830 to 15849 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/pt/111 pt-97N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--400.18120402; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/pt/111 pt-97N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--399.85654381; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/pt/111 pt-9801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--395.66629154; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/pt/111 pt-9802-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--395.39246371; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/pt/111 pt-a801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--405.15146069; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/rh/111 rh-8611-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--436.30283747; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/rh/111 rh-8612-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--436.71959569; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/rh/111 rh-86S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--435.24616414; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/rh/111 rh-86S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--435.25751722; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/rh/111 rh-87N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--442.44108335; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/rh/111 rh-87N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--442.69380501; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/rh/111 rh-97N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--452.15357489; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/rh/111 rh-97N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--451.68518761; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/rh/111 rh-9801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--447.01855570; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/rh/111 rh-9802-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--447.02936461; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/rh/111 rh-a801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--456.98317879; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ru/0001 ru-8611-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--525.75208641; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ru/0001 ru-8612-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--525.90766813; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ru/0001 ru-86S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--524.26802031; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ru/0001 ru-86S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--524.25674840; eV
Showing results 15830 to 15849 of 63063 < previous   next >