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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din6_as_c4_3216/Ru_N_din6_as_c4_3216 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.75022510; eV
Login required10-Nov-2022/M_N_din6_as_c4_3216/Ru_N_din6_as_c4_3216 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.38213119; eV
Login required10-Nov-2022/M_N_din6_as_c4_3216/Zn_N_din6_as_c4_3216 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.09948797; eV
Login required10-Nov-2022/M_N_din6_as_c4_3216/Zn_N_din6_as_c4_3216 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.54641254; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Ag_N_din6_as_c4_3456 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.77671893; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Ag_N_din6_as_c4_3456 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.20074263; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Au_N_din6_as_c4_3456 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.86593673; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Au_N_din6_as_c4_3456 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.30419752; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Cd_N_din6_as_c4_3456 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.48509375; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Cd_N_din6_as_c4_3456 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.93283629; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Co_N_din6_as_c4_3456 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.12228300; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Co_N_din6_as_c4_3456 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.34352285; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Cu_N_din6_as_c4_3456 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.55353904; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Cu_N_din6_as_c4_3456 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.97053914; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Fe_N_din6_as_c4_3456 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.34248907; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Fe_N_din6_as_c4_3456 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.65063009; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Ir_N_din6_as_c4_3456 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.09622872; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Ir_N_din6_as_c4_3456 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.49669121; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Ni_N_din6_as_c4_3456 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.25825177; eV
Login required10-Nov-2022/M_N_din6_as_c4_3456/Ni_N_din6_as_c4_3456 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.38857215; eV