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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din4_x2_c2_c/Pd_N_din4_x2_c2_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.11235577; eV
Login required10-Nov-2022/M_N_din4_x2_c2_c/Pd_N_din4_x2_c2_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.69314522; eV
Login required10-Nov-2022/M_N_din4_x2_c2_c/Pt_N_din4_x2_c2_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.34691752; eV
Login required10-Nov-2022/M_N_din4_x2_c2_c/Pt_N_din4_x2_c2_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.12797374; eV
Login required10-Nov-2022/M_N_din4_x2_c2_c/Rh_N_din4_x2_c2_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.07965794; eV
Login required10-Nov-2022/M_N_din4_x2_c2_c/Rh_N_din4_x2_c2_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.73978030; eV
Login required10-Nov-2022/M_N_din4_x2_c2_c/Ru_N_din4_x2_c2_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.73104684; eV
Login required10-Nov-2022/M_N_din4_x2_c2_c/Ru_N_din4_x2_c2_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.54218505; eV
Login required10-Nov-2022/M_N_din4_x2_c2_c/Zn_N_din4_x2_c2_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.07611246; eV
Login required10-Nov-2022/M_N_din4_x2_c2_c/Zn_N_din4_x2_c2_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.12504178; eV
Login required10-Nov-2022/M_N_din4_x2_c2_d/Ag_N_din4_x2_c2_d rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.70054126; eV
Login required10-Nov-2022/M_N_din4_x2_c2_d/Ag_N_din4_x2_c2_d rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.66576993; eV
Login required10-Nov-2022/M_N_din4_x2_c2_d/Au_N_din4_x2_c2_d rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.74927793; eV
Login required10-Nov-2022/M_N_din4_x2_c2_d/Au_N_din4_x2_c2_d rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.46102812; eV
Login required10-Nov-2022/M_N_din4_x2_c2_d/Cd_N_din4_x2_c2_d rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.77354108; eV
Login required10-Nov-2022/M_N_din4_x2_c2_d/Cd_N_din4_x2_c2_d rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.73845952; eV
Login required10-Nov-2022/M_N_din4_x2_c2_d/Co_N_din4_x2_c2_d rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.59805458; eV
Login required10-Nov-2022/M_N_din4_x2_c2_d/Co_N_din4_x2_c2_d rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.48862033; eV
Login required10-Nov-2022/M_N_din4_x2_c2_d/Cu_N_din4_x2_c2_d rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.21715698; eV
Login required10-Nov-2022/M_N_din4_x2_c2_d/Cu_N_din4_x2_c2_d rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.16550342; eV