1. Institute of Chemical Research of Catalonia

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Showing results 29930 to 29949 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required17-Feb-2023/M_P_din6_s_c4_0124/Cu_P_din6_s_c4_0124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--593.79464776; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Cu_P_din6_s_c4_0124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--594.31446154; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Fe_P_din6_s_c4_0124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--598.83385641; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Fe_P_din6_s_c4_0124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--599.27166474; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Ir_P_din6_s_c4_0124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--599.61517298; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Ir_P_din6_s_c4_0124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--600.16336958; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Ni_P_din6_s_c4_0124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--596.18158076; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Ni_P_din6_s_c4_0124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--596.73260702; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Os_P_din6_s_c4_0124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--600.68415788; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Os_P_din6_s_c4_0124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--601.30155441; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Pd_P_din6_s_c4_0124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--596.64714193; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Pd_P_din6_s_c4_0124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--597.27012951; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Pt_P_din6_s_c4_0124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--597.89956507; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Pt_P_din6_s_c4_0124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--598.55686264; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Rh_P_din6_s_c4_0124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--598.27950388; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Rh_P_din6_s_c4_0124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--598.76953978; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Ru_P_din6_s_c4_0124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--599.47166103; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Ru_P_din6_s_c4_0124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--599.96229037; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Zn_P_din6_s_c4_0124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--592.31669944; eV
Login required17-Feb-2023/M_P_din6_s_c4_0124/Zn_P_din6_s_c4_0124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--592.65227207; eV
Showing results 29930 to 29949 of 63063 < previous   next >