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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/rh/111 rh-4a11-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--414.61954043; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/rh/111 rh-4a12-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--414.76868984; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/rh/111 rh-4a13-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--414.74396884; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/rh/111 rh-4a14-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--414.82917268; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-1211-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--446.47196226; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-2201-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--449.18172158; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-2401-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--456.26608882; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-2411-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--463.16783037; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-2601-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--463.79367318; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-2611-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--469.71690148; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-2612-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--470.68314469; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-3401-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--465.63267946; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-3601-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--473.11360577; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-3611-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--479.29498845; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-3611-bMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--479.81830808; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-3801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--480.49531467; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-3811-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--486.81654934; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-3812-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--487.33076890; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-3813-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--487.42355083; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group2/ru/0001 ru-4601-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--482.39382521; eV