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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Sep-20187_Br_uncappedO_ethyl_bromide_Hstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesPBE+U--1246.10414619; eV
thumbnail.jpeg17-Sep-20184_Cl_uncappedO_fcO_X_ethyl_chloride_Clstrip_TSScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexFrequenciesPBE+U--1247.19259606; eV
Login required18-Sep-2018EuOCl(102)_1x3x1Scharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--572.32574999; eV
Login required18-Sep-2018EuOCl(101)_2x3x1Scharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--858.21432292; eV
Login required18-Sep-2018EuOCl(110)_2x2x1Scharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimizationPBE+U--555.84757662; eV
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
Results 1-10 of 51 (Search time: 0.001 seconds).