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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-2019/MnN2O2 MnN2O2-cleanPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--660.94705140; eV
thumbnail.jpeg8-May-2019/MnN4-O MnN4-O-COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--673.54441457; eV
thumbnail.jpeg8-May-2019/MnN4-O MnN4-O-CO2HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--684.08914280; eV
thumbnail.jpeg8-May-2019/MnN4-O MnN4-O-CO2Prslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--680.56286751; eV
thumbnail.jpeg8-May-2019/MnN4-O MnN4-O-HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--661.05441314; eV
thumbnail.jpeg8-May-2019/MnN4-O MnN4-O-cleanPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--659.05412789; eV
thumbnail.jpeg8-May-2019/MnN4-H2O MnN4-H2O-COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--682.95511604; eV
thumbnail.jpeg8-May-2019/MnN4-H2O MnN4-H2O-CO2HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--693.31281823; eV
thumbnail.jpeg8-May-2019/MnN4-H2O MnN4-H2O-CO2Prslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--689.31358745; eV
thumbnail.jpeg8-May-2019/MnN4-H2O MnN4-H2O-HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--670.14646528; eV
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