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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-May-2019/FePO4 11_EeOC_Cl_H-Clstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1254.02379467; eV
thumbnail.jpeg22-May-2019/FePO4 11_EeOC_Cl_H-Clstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1253.91383520; eV
thumbnail.jpeg22-May-2019/FePO4 10_EeOC_Cl_Clstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1254.47257201; eV
thumbnail.jpeg22-May-2019/FePO4 10_EeOC_Cl_Clstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesDFT--1252.90837418; eV
thumbnail.jpeg20-May-2019/FePO4 5_EaOC_Ofc_H-Clstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1249.24093768; eV
thumbnail.jpeg20-May-2019/FePO4 5_EaOC_Ofc_H-Clstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1248.82058704; eV
thumbnail.jpeg20-May-2019/FePO4 5_EaOC_Cl_H-Clstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1255.77079799; eV
thumbnail.jpeg20-May-2019/FePO4 4_EaOC_Cl_Clstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1247.86736159; eV
thumbnail.jpeg20-May-2019/FePO4 5_EaOC_Cl_H-Clstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1254.87941950; eV
thumbnail.jpeg20-May-2019/FePO4 4_EaOC_Cl_Clstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationDFT--1248.47654672; eV
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