1. Institute of Chemical Research of Catalonia

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Showing results 24805 to 24824 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Ag_N_din4_x2_c2_g_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.87224906; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Ag_N_din4_x2_c2_g_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.50177015; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Au_N_din4_x2_c2_g_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.80397105; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Au_N_din4_x2_c2_g_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.31645217; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Cd_N_din4_x2_c2_g_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.90655233; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Cd_N_din4_x2_c2_g_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.53173605; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Co_N_din4_x2_c2_g_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.64011888; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Co_N_din4_x2_c2_g_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.17277999; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Cu_N_din4_x2_c2_g_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.42935486; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Cu_N_din4_x2_c2_g_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.03029401; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Fe_N_din4_x2_c2_g_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.31585968; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Fe_N_din4_x2_c2_g_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.95255406; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Ir_N_din4_x2_c2_g_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.85557803; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Ir_N_din4_x2_c2_g_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.35109207; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Ni_N_din4_x2_c2_g_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.65399481; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Ni_N_din4_x2_c2_g_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.18871808; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Os_N_din4_x2_c2_g_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.78731146; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Os_N_din4_x2_c2_g_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--630.60627471; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Pd_N_din4_x2_c2_g_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.98426609; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g_2/Pd_N_din4_x2_c2_g_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.53222932; eV
Showing results 24805 to 24824 of 63196 < previous   next >