1. Institute of Chemical Research of Catalonia

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Showing results 28399 to 28418 of 63313 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Co_P_din4_x2_c3_c_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--615.39152383; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Co_P_din4_x2_c3_c_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--615.91088021; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Cu_P_din4_x2_c3_c_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--611.78602313; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Cu_P_din4_x2_c3_c_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--611.86674725; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Fe_P_din4_x2_c3_c_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--616.39958495; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Fe_P_din4_x2_c3_c_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--616.83875875; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Ir_P_din4_x2_c3_c_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--617.09766538; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Ir_P_din4_x2_c3_c_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--617.41427574; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Ni_P_din4_x2_c3_c_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--614.09220220; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Ni_P_din4_x2_c3_c_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--614.25254937; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Os_P_din4_x2_c3_c_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.51156671; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Os_P_din4_x2_c3_c_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.66991629; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Pd_P_din4_x2_c3_c_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--613.60384349; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Pd_P_din4_x2_c3_c_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--613.94320356; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Pt_P_din4_x2_c3_c_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--603.29266183; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Pt_P_din4_x2_c3_c_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--603.74092587; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Rh_P_din4_x2_c3_c_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--615.47050226; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Rh_P_din4_x2_c3_c_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--615.70948387; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Ru_P_din4_x2_c3_c_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--616.81366594; eV
Login required17-Feb-2023/M_P_din4_x2_c3_c_v2/Ru_P_din4_x2_c3_c_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--617.90300399; eV
Showing results 28399 to 28418 of 63313 < previous   next >