1. Institute of Chemical Research of Catalonia

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Showing results 27734 to 27753 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required17-Feb-2023/M_P_din4_x2_c1_b/Ru_P_din4_x2_c1_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--609.27711662; eV
Login required17-Feb-2023/M_P_din4_x2_c1_b/Ru_P_din4_x2_c1_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--609.66095785; eV
Login required17-Feb-2023/M_P_din4_x2_c1_b/Zn_P_din4_x2_c1_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--601.84134785; eV
Login required17-Feb-2023/M_P_din4_x2_c1_b/Zn_P_din4_x2_c1_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--602.12980291; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Ag_P_din4_x2_c2_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.62862604; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Ag_P_din4_x2_c2_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--608.20090317; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Au_P_din4_x2_c2_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--598.18464349; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Au_P_din4_x2_c2_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--597.86630200; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Cd_P_din4_x2_c2_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--605.30827619; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Cd_P_din4_x2_c2_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--605.91288750; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Co_P_din4_x2_c2_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--612.89778717; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Co_P_din4_x2_c2_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--613.49242405; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Cu_P_din4_x2_c2_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--609.85696063; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Cu_P_din4_x2_c2_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--610.42557198; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Fe_P_din4_x2_c2_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--613.97491165; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Fe_P_din4_x2_c2_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--614.50752392; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Ir_P_din4_x2_c2_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--614.65108749; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Ir_P_din4_x2_c2_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--615.17781142; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Ni_P_din4_x2_c2_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--611.97697549; eV
Login required17-Feb-2023/M_P_din4_x2_c2_a/Ni_P_din4_x2_c2_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--612.53627761; eV
Showing results 27734 to 27753 of 62999 < previous   next >