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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ir/111 ir-4825-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--488.27065331; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ir/111 ir-4826-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--488.17738989; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ir/111 ir-4831-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--495.50194439; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ir/111 ir-4832-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--495.27232082; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ir/111 ir-4833-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--494.64086205; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-1221-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--281.04489787; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-1231-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--288.66376819; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-2421-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--298.00027830; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-2422-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--297.39505038; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-2431-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--304.55625553; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-3621-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--314.57995625; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-3622-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--314.16954258; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-3623-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--314.41990479; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-3631-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--321.63933398; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-3632-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--320.87524563; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-4821-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--331.32931733; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-4822-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--331.23159937; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-4823-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--330.85416213; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-4824-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--330.95521567; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group4/ni/111 ni-4825-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--331.16914432; eV