1. Institute of Chemical Research of Catalonia

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Showing results 15859 to 15878 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/zn/0001 zn-86S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--152.48615196; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/zn/0001 zn-86S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--152.12498996; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/zn/0001 zn-87N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--160.64988633; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/zn/0001 zn-87N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--160.32407143; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/zn/0001 zn-97N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--169.45601567; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/zn/0001 zn-97N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--169.43151423; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/zn/0001 zn-9801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--164.69958198; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/zn/0001 zn-9802-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--164.13482348; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/zn/0001 zn-a801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--174.22463164; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ag/111 ag-13_1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--168.08110614; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ag/111 ag-25_1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--184.46819627; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ag/111 ag-25_2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--184.51861991; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ag/111 ag-37_1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--201.22144554; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ag/111 ag-37_2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--201.28924899; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ag/111 ag-37_3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--200.91631293; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ag/111 ag-37_4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--200.85359418; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ag/111 ag-49_1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--217.94041308; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ag/111 ag-49_2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--217.88210772; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ag/111 ag-49_3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--218.06258962; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ag/111 ag-49_4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--217.95259187; eV
Showing results 15859 to 15878 of 63063 < previous   next >