1. Institute of Chemical Research of Catalonia

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Showing results 25501 to 25520 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din6_as_c1_2/Ru_N_din6_as_c1_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.94638840; eV
Login required10-Nov-2022/M_N_din6_as_c1_2/Ru_N_din6_as_c1_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.47850915; eV
Login required10-Nov-2022/M_N_din6_as_c1_2/Zn_N_din6_as_c1_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.67058558; eV
Login required10-Nov-2022/M_N_din6_as_c1_2/Zn_N_din6_as_c1_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.20895095; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Ag_N_din6_as_c1_3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.52127592; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Ag_N_din6_as_c1_3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.08346519; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Au_N_din6_as_c1_3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.78298008; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Au_N_din6_as_c1_3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.37127641; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Cd_N_din6_as_c1_3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.91643552; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Cd_N_din6_as_c1_3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.56497463; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Co_N_din6_as_c1_3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.72420782; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Co_N_din6_as_c1_3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.25104105; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Cu_N_din6_as_c1_3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.23403016; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Cu_N_din6_as_c1_3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.76607873; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Fe_N_din6_as_c1_3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.87468789; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Fe_N_din6_as_c1_3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.56112294; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Ir_N_din6_as_c1_3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.74401846; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Ir_N_din6_as_c1_3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.46256503; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Ni_N_din6_as_c1_3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.56134303; eV
Login required10-Nov-2022/M_N_din6_as_c1_3/Ni_N_din6_as_c1_3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.16980734; eV
Showing results 25501 to 25520 of 63196 < previous   next >