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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/cu/111 cu-97N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--287.15886039; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/cu/111 cu-87N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--278.13900494; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/cu/111 cu-86S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--270.07211203; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/cu/111 cu-86S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--270.27695147; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/cd/0001 cd-9801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--146.82770182; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/cd/0001 cd-97N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--151.55892121; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/cd/0001 cd-97N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--151.58356381; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/cd/0001 cd-87N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--142.44261854; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/cd/0001 cd-87N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--142.76675071; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/aromatics2/cd/0001 cd-86S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--134.25407943; eV
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