1. Institute of Chemical Research of Catalonia

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Showing results 24797 to 24816 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din4_x2_c2_g/Pt_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.48167185; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Pt_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.05356019; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Rh_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.32786333; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Rh_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.84227312; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Ru_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.38389249; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Ru_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.21642089; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Zn_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.06611365; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Zn_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.65963051; eV
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
Showing results 24797 to 24816 of 63196 < previous   next >