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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Dec-2017s-7a-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---708.21376204; eV
thumbnail.jpeg20-Dec-2017d-2a-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---692.91267797; eV
thumbnail.jpeg20-Dec-2017s-7a-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---706.82545466; eV
thumbnail.jpeg20-Dec-2017d-12-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---702.76399664; eV
thumbnail.jpeg20-Dec-2017s-12-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---707.83019719; eV
thumbnail.jpeg20-Dec-2017s-7-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---706.40787169; eV
thumbnail.jpeg20-Dec-2017s-10-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---707.72739085; eV
thumbnail.jpeg20-Dec-2017s-9-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequencies---698.84836258; eV
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
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