1. Institute of Chemical Research of Catalonia

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Showing results 29970 to 29989 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required17-Feb-2023/M_P_din6_s_c3_024/Ni_P_din6_s_c3_024 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.10690273; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Ni_P_din6_s_c3_024 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.57796498; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Os_P_din6_s_c3_024 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--597.61181205; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Os_P_din6_s_c3_024 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--598.16248762; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Pd_P_din6_s_c3_024 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.43735911; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Pd_P_din6_s_c3_024 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.91243609; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Pt_P_din6_s_c3_024 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--594.54005827; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Pt_P_din6_s_c3_024 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--595.04693467; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Rh_P_din6_s_c3_024 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--595.18732244; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Rh_P_din6_s_c3_024 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--595.88876415; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Ru_P_din6_s_c3_024 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--596.15082613; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Ru_P_din6_s_c3_024 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--596.83207662; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Zn_P_din6_s_c3_024 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--588.64165641; eV
Login required17-Feb-2023/M_P_din6_s_c3_024/Zn_P_din6_s_c3_024 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--589.09421733; eV
Login required17-Feb-2023/M_P_din6_s_c4_0123/Ag_P_din6_s_c4_0123 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.25837555; eV
Login required17-Feb-2023/M_P_din6_s_c4_0123/Ag_P_din6_s_c4_0123 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.79485818; eV
Login required17-Feb-2023/M_P_din6_s_c4_0123/Au_P_din6_s_c4_0123 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--594.36139589; eV
Login required17-Feb-2023/M_P_din6_s_c4_0123/Au_P_din6_s_c4_0123 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--594.91891201; eV
Login required17-Feb-2023/M_P_din6_s_c4_0123/Cd_P_din6_s_c4_0123 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--591.76240720; eV
Login required17-Feb-2023/M_P_din6_s_c4_0123/Cd_P_din6_s_c4_0123 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--592.51767069; eV
Showing results 29970 to 29989 of 63196 < previous   next >