1. Institute of Chemical Research of Catalonia

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Showing results 24757 to 24776 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din4_x2_c3_a/Ni_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.64888838; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Ni_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.21085886; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Os_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.75894897; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Os_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.79891333; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Pd_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.99743316; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Pd_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.55538349; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Pt_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.57727354; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Pt_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.13470474; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Rh_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.23503428; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Rh_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.59247841; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Ru_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.73979320; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Ru_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.21585761; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Zn_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.25365128; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Zn_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.79395793; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Ag_N_din4_x2_c3_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.23384856; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Ag_N_din4_x2_c3_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.60093257; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Au_N_din4_x2_c3_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.23291560; eV
Login required10-Nov-2022/M_N_din4_x2_c3_b/Au_N_din4_x2_c3_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.58222719; eV
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
Showing results 24757 to 24776 of 63063 < previous   next >