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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-97N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--368.77649214; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-97N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--368.73626009; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-87N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--359.17811232; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-87N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--359.15158835; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-86S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--351.59574125; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-8612-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--353.29317126; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-8611-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--353.22300155; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ir/111 ir-a801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--530.92541296; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ir/111 ir-9802-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--521.07531149; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/ir/111 ir-9801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--521.21217882; eV
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