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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-May-2019/FePO4 3_EaOC_Ou_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1247.77396714; eV
thumbnail.jpeg20-May-2019/FePO4 3_EaOC_Ofc_Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1247.95361862; eV
thumbnail.jpeg20-May-2019/FePO4 3_EaOC_Cl_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.78264594; eV
thumbnail.jpeg20-May-2019/FePO4 3_EaOC_Cl_Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1254.63833036; eV
thumbnail.jpeg20-May-2019/FePO4 3_EaOC_Ou_Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1247.77396714; eV
thumbnail.jpeg20-May-2019/FePO4 3_EaOC_Ofc_Hstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesDFT--1247.08105944; eV
thumbnail.jpeg20-May-2019/FePO4 3_EaOC_Ou_Hstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesDFT--1246.68264044; eV
thumbnail.jpeg20-May-2019/FePO4 3_EaOC_Cl_Hstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesDFT--1254.02787130; eV
thumbnail.jpeg20-May-2019/FePO4 9_EeOC_Cl-Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1254.06979471; eV
thumbnail.jpeg20-May-2019/FePO4 9_EeOC_Ofc-Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.70397776; eV
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