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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required26-Oct-2022/M_N_rol2_din2_c2_s3/Ir_N_rol2_din2_c2_s3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.76289145; eV
Login required26-Oct-2022/M_N_rol2_din2_c3_a/Ni_N_rol2_din2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.57595915; eV
Login required26-Oct-2022/M_N_rol2_din2_c2_s2/Ru_N_rol2_din2_c2_s2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.81715957; eV
Login required26-Oct-2022/M_N_rol2_din2_c3_a/Fe_N_rol2_din2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.44599937; eV
Login required26-Oct-2022/M_N_rol2_din2_c2_s3/Cu_N_rol2_din2_c2_s3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.21122871; eV
Login required26-Oct-2022/M_N_rol2_din2_c3_a/Au_N_rol2_din2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.40645215; eV
Login required26-Oct-2022/M_N_rol2_din2_c3_a/Co_N_rol2_din2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.71497090; eV
Login required26-Oct-2022/M_N_rol2_din2_c3_a/Pd_N_rol2_din2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.78054945; eV
Login required26-Oct-2022/M_N_rol2_din2_c2_s3/Zn_N_rol2_din2_c2_s3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.02004525; eV
Login required26-Oct-2022/M_N_rol2_din2_c2_s3/Cd_N_rol2_din2_c2_s3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.20118004; eV
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