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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Sep-20188_Br_uncappedO_fcO_X_ethyl_bromide_Brstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--1248.04858115; eV
thumbnail.jpeg17-Sep-20183_Cl_uncappedO_ethyl_chloride_Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--1248.15218457; eV
thumbnail.jpeg17-Sep-20183b_Cl_Cl_ethyl_chloride_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--1255.78264594; eV
thumbnail.jpeg17-Sep-20182_Cl_uncappedO_fcO_X_ethane_Cladd_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesPBE+U--1255.17963165; eV
thumbnail.jpeg17-Sep-20183_Cl_uncappedO_ethyl_chloride_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--1247.77396714; eV
thumbnail.jpeg17-Sep-20187a_Br_fcO_ethyl_brominde_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--1248.67945884; eV
thumbnail.jpeg17-Sep-20187a_Br_fcO_ethyl_brominde_Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--1247.40861128; eV
thumbnail.jpeg17-Sep-20183b_Cl_Cl_ethyl_chloride_Hstrip_FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--1254.63833036; eV
thumbnail.jpeg17-Sep-20181a_Cl_fcO_ethane_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--1255.27033237; eV
thumbnail.jpeg17-Sep-20187b_Br_Br_ethyl_bromide_Hstrip_InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--1254.62043320; eV
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