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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-1231-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--208.95298708; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-2421-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--218.31443122; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-2422-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--217.74965595; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-2431-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--224.96065957; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-3621-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--234.98839069; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-3622-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--234.51792789; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-3623-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--234.75247004; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-3631-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--241.89763722; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-3632-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--241.23774870; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-4821-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--251.64030036; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-4822-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--251.57943758; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-4823-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--251.18483019; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-4824-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--251.31109462; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-4825-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--251.51097318; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-4826-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--251.41318751; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-4831-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--258.56930939; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-4832-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--258.55521230; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/cu/111 cu-4833-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--257.97095516; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/gas 1221Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--29.73755935; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/gas 1231Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--37.08540447; eV