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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required29-Mar-2018Cl-Fe_H-Fe_bottom_capped_102_surfaceScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimization---1177.72013406; eV
Login required29-Mar-2018bottom_capped_102_surfaceScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimization---1171.37168600; eV
Login required29-Mar-2018double_capped_102_surfaceScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---1190.46989008; eV
Login required17-Apr-2018O2_dissotiative_adsorption_clean_surfScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimization---1207.22720065; eV
Login required17-Apr-20185_2X_radicals_removedScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimization---1197.26111227; eV
Login required17-Apr-20182_X_radical_removedScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimization---1192.82674334; eV
Login required17-Apr-20181_HCl_adsScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimization---1198.11468627; eV
Login required17-Apr-20181_HBr_adsScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimization---1197.53234363; eV
Login required17-Apr-20184_O2_dissotiationScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimization---1210.81037481; eV
Login required17-Apr-20183_O2_adsorptionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimization---1206.22386737; eV
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