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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-May-2019/FePO4 5_EaOC_Ofc_H-Clstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesDFT--1247.08365130; eV
thumbnail.jpeg20-May-2019/FePO4 5_EaOC_Cl_H-Clstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesDFT--1254.25428312; eV
thumbnail.jpeg20-May-2019/FePO4 4_EaOC_Cl_Clstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesDFT--1247.19259606; eV
thumbnail.jpeg20-May-2019/FePO4 10_EeOC_Cl-Clstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1254.08133715; eV
thumbnail.jpeg20-May-2019/FePO4 11_EeOC_Cl_H-Clstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesDFT--1252.67550711; eV
thumbnail.jpeg20-May-2019/FePO4 6_EeOC_Cl_H-Clstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1248.47654672; eV
thumbnail.jpeg20-May-2019/FePO4 6_EeOC_Cl_H-Clstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1247.86736159; eV
thumbnail.jpeg20-May-2019/FePO4 7_EeOC_Ofc-Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1247.95361862; eV
thumbnail.jpeg20-May-2019/FePO4 7_EeOC_Ofc-Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1248.82778487; eV
thumbnail.jpeg20-May-2019/FePO4 7_EeOC_Cl-Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1253.21445629; eV
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