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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 49N5Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--77.40077133; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 49N6Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--77.11327330; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 49N7Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--77.39302319; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 49N8Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--77.06796387; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 49N9Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--77.77524938; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 49NaMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--77.48977885; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 4bN1Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--85.58634468; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 4bN2Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--85.69989968; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 4bN3Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--85.71219543; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 4bN4Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--85.82663753; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 4bN5Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--85.41231713; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 4bN6Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--85.33333069; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/gas 4bN7Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--85.16960424; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/ir/111 ir-13N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--436.57486319; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/ir/111 ir-15N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--445.15017543; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/ir/111 ir-25N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--453.95864207; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/ir/111 ir-25N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--453.29933745; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/ir/111 ir-27N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--461.82677519; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/ir/111 ir-27N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--461.50105305; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3N/ir/111 ir-37N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--470.43442681; eV