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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-2019/FeN4 FeN4-CO2HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--677.82354681; eV
thumbnail.jpeg8-May-2019/FeN4 FeN4-clean_Prslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--651.22318548; eV
thumbnail.jpeg8-May-2019/FeN4 FeN4-CO2Prslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--673.94662593; eV
thumbnail.jpeg8-May-2019/FeN4 FeN4-HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--654.60340157; eV
thumbnail.jpeg8-May-2019/FeN4 FeN4-COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--667.74637119; eV
thumbnail.jpeg8-May-2019/FeN4-H2O FeN4-H2O-cleanPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--665.81276881; eV
thumbnail.jpeg8-May-2019/FeN4-H2O FeN4-H2O-CO2Prslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--688.34282886; eV
thumbnail.jpeg8-May-2019/FeN4-H2O FeN4-H2O-CO2HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--692.30119245; eV
thumbnail.jpeg8-May-2019/FeN4-H2O FeN4-H2O-COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--682.20960578; eV
thumbnail.jpeg8-May-2019/FeN4-OH FeN4-OH-cleanPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--661.90131354; eV
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