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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-May-2019/FePO4 9_EeOC_Ofc-Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1254.08133715; eV
thumbnail.jpeg20-May-2019/FePO4 8_EeOC_Cl-Cladd_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1254.18951011; eV
thumbnail.jpeg20-May-2019/FePO4 9_EeOC_Cl-Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1252.52790021; eV
thumbnail.jpeg20-May-2019/FePO4 8_EeOC_Cl-Cladd_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.58232533; eV
thumbnail.jpeg20-May-2019/FePO4 9_EeOC_Cl-Hstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesDFT--1251.06633717; eV
thumbnail.jpeg20-May-2019/FePO4 9_EeOC_Ofc-Hstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesDFT--1252.73282597; eV
thumbnail.jpeg20-May-2019/FePO4 8_EeOC_Cl-Cladd_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesDFT--1253.71774302; eV
thumbnail.jpeg20-May-2019/FePO4 1_EaOC_Ou_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1254.30360373; eV
thumbnail.jpeg20-May-2019/FePO4 1_EaOC_Ou_Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1254.30360373; eV
thumbnail.jpeg20-May-2019/FePO4 1_EaOC_Ou_Hstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesDFT--1253.06994861; eV
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