1. Institute of Chemical Research of Catalonia

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Showing results 24817 to 24836 of 63313 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din4_x2_c2_e/Co_N_din4_x2_c2_e rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.45268181; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Cu_N_din4_x2_c2_e rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.30218922; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Cu_N_din4_x2_c2_e rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.03282977; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Fe_N_din4_x2_c2_e rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.24987211; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Fe_N_din4_x2_c2_e rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.01621916; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Ir_N_din4_x2_c2_e rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.03509005; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Ir_N_din4_x2_c2_e rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.57984045; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Ni_N_din4_x2_c2_e rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.50080668; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Ni_N_din4_x2_c2_e rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.16499266; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Os_N_din4_x2_c2_e rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.42984878; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Os_N_din4_x2_c2_e rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--630.31975211; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Pd_N_din4_x2_c2_e rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.85141719; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Pd_N_din4_x2_c2_e rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.53449122; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Pt_N_din4_x2_c2_e rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.21240854; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Pt_N_din4_x2_c2_e rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.81110409; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Rh_N_din4_x2_c2_e rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.59999019; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Rh_N_din4_x2_c2_e rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.15991201; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Ru_N_din4_x2_c2_e rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.65925501; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Ru_N_din4_x2_c2_e rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.33287450; eV
Login required10-Nov-2022/M_N_din4_x2_c2_e/Zn_N_din4_x2_c2_e rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.95574880; eV
Showing results 24817 to 24836 of 63313 < previous   next >