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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-May-2019/FePO4 1_EaOC_Ofc_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.27033237; eV
thumbnail.jpeg20-May-2019/FePO4 1_EaOC_Cl_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1263.85671013; eV
thumbnail.jpeg20-May-2019/FePO4 2_EaOC_Cl_Cladd_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1256.93588718; eV
thumbnail.jpeg20-May-2019/FePO4 1_EaOC_Ofc_Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.35455215; eV
thumbnail.jpeg20-May-2019/FePO4 2_EaOC_Cl_Cladd_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.20363405; eV
thumbnail.jpeg20-May-2019/FePO4 3_EaOC_Ofc_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1249.28460674; eV
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
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