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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/FePO4 10_EeOC_Cl_Clstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1254.47257201; eV
thumbnail.jpeg/FePO4 10_EeOC_Cl_Clstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1252.90837418; eV
thumbnail.jpeg/FePO4 3_EaOC_Cl_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1255.78264594; eV
thumbnail.jpeg/FePO4 3_EaOC_Cl_Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1254.63833036; eV
thumbnail.jpeg/FePO4 3_EaOC_Cl_Hstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1254.02787130; eV
thumbnail.jpeg/FePO4 5_EaOC_Cl_H-Clstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1255.77079799; eV
thumbnail.jpeg/FePO4 5_EaOC_Cl_H-Clstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1254.87941950; eV
thumbnail.jpeg/FePO4 5_EaOC_Cl_H-Clstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1254.25428312; eV
thumbnail.jpeg/FePO4 7_EeOC_Cl-Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1253.21445629; eV
thumbnail.jpeg/FePO4 7_EeOC_Cl-Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1253.21445629; eV
thumbnail.jpeg/FePO4 7_EeOC_Cl-Hstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1253.54820343; eV
thumbnail.jpeg/FePO4 8_EeOC_Cl-Cladd_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1254.18951011; eV
thumbnail.jpeg/FePO4 8_EeOC_Cl-Cladd_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1255.58232533; eV
thumbnail.jpeg/FePO4 8_EeOC_Cl-Cladd_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1253.71774302; eV
thumbnail.jpeg/FePO4 9_EeOC_Ofc-Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1255.70397776; eV
thumbnail.jpeg/FePO4 9_EeOC_Ofc-Hstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1252.73282597; eV
thumbnail.jpeg/FePO4 9_EeOC_Ofc-Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1254.08133715; eV
thumbnail.jpeg/FePO4 10_EeOC_Cl-Clstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexDFT--1254.08133715; eV
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