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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required16-Feb-2023/M_S_din4_x2_c4_f_v2/Pt_S_din4_x2_c4_f_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--617.29897212; eV
Login required16-Feb-2023/M_S_din4_x2_c4_f_v2/Pt_S_din4_x2_c4_f_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--617.33352602; eV
Login required16-Feb-2023/M_S_din4_x2_c4_f_v2/Rh_S_din4_x2_c4_f_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--617.39997573; eV
Login required16-Feb-2023/M_S_din4_x2_c4_f_v2/Rh_S_din4_x2_c4_f_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--617.58995874; eV
Login required16-Feb-2023/M_S_din4_x2_c4_f_v2/Ru_S_din4_x2_c4_f_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.18202173; eV
Login required16-Feb-2023/M_S_din4_x2_c4_f_v2/Ru_S_din4_x2_c4_f_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.04396278; eV
Login required16-Feb-2023/M_S_din4_x2_c4_f_v2/Zn_S_din4_x2_c4_f_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--610.89910244; eV
Login required16-Feb-2023/M_S_din4_x2_c4_f_v2/Zn_S_din4_x2_c4_f_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--610.99998039; eV
Login required16-Feb-2023/M_S_din4_x2_c5_a/Ag_S_din4_x2_c5_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--617.84807847; eV
Login required16-Feb-2023/M_S_din4_x2_c5_a/Ag_S_din4_x2_c5_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.39131871; eV
Login required16-Feb-2023/M_S_din4_x2_c5_a/Au_S_din4_x2_c5_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.52565395; eV
Login required16-Feb-2023/M_S_din4_x2_c5_a/Au_S_din4_x2_c5_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.07155637; eV
Login required16-Feb-2023/M_S_din4_x2_c5_a/Cd_S_din4_x2_c5_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--615.31053607; eV
Login required16-Feb-2023/M_S_din4_x2_c5_a/Cd_S_din4_x2_c5_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--615.91340331; eV
Login required16-Feb-2023/M_S_din4_x2_c5_a/Co_S_din4_x2_c5_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.84275182; eV
Login required16-Feb-2023/M_S_din4_x2_c5_a/Co_S_din4_x2_c5_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.16431752; eV
Login required16-Feb-2023/M_S_din4_x2_c5_a/Cu_S_din4_x2_c5_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.34427848; eV
Login required16-Feb-2023/M_S_din4_x2_c5_a/Cu_S_din4_x2_c5_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.82083422; eV
Login required16-Feb-2023/M_S_din4_x2_c5_a/Fe_S_din4_x2_c5_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.96602922; eV
Login required16-Feb-2023/M_S_din4_x2_c5_a/Fe_S_din4_x2_c5_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.40870978; eV