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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din4_x2_c3_b/Cd_N_din4_x2_c3_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.38946535; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Cd_N_din4_x2_c3_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.89063981; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Co_N_din4_x2_c3_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.95123819; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Co_N_din4_x2_c3_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.61206255; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Cu_N_din4_x2_c3_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.22962693; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Cu_N_din4_x2_c3_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.47375120; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Fe_N_din4_x2_c3_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.74207067; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Fe_N_din4_x2_c3_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.27190555; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Ir_N_din4_x2_c3_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.31964697; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Ir_N_din4_x2_c3_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.11710742; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Ni_N_din4_x2_c3_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.39662374; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Ni_N_din4_x2_c3_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.95526182; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Os_N_din4_x2_c3_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.47166931; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Os_N_din4_x2_c3_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--630.31602881; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Pd_N_din4_x2_c3_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.86119415; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Pd_N_din4_x2_c3_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.41003076; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Pt_N_din4_x2_c3_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.46553500; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Pt_N_din4_x2_c3_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.01180363; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Rh_N_din4_x2_c3_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.61142690; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Rh_N_din4_x2_c3_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.33327126; eV