1. Institute of Chemical Research of Catalonia

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Showing results 24777 to 24796 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din4_x2_c2_g/Ag_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.89545602; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Ag_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.56124848; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Au_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.47106956; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Au_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.10047838; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Cd_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.72831167; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Cd_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.37960828; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Co_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.16807833; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Co_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.65930482; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Cu_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.58862606; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Cu_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.09874600; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Fe_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.21461252; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Fe_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.75206306; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Ir_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.13959605; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Ir_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.76363311; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Ni_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.24899020; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Ni_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.81798725; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Os_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.33265377; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Os_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.18307260; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Pd_N_din4_x2_c2_g rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.73075756; eV
Login required10-Nov-2022/M_N_din4_x2_c2_g/Pd_N_din4_x2_c2_g rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.19921090; eV
Showing results 24777 to 24796 of 63196 < previous   next >