1. Institute of Chemical Research of Catalonia

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Showing results 28359 to 28378 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required17-Feb-2023/M_P_din4_x2_c4_c/Cd_P_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--603.44540106; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Co_P_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--613.54065313; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Co_P_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--613.66516121; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Cu_P_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--615.21575931; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Cu_P_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--615.51117212; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Fe_P_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--614.77158977; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Fe_P_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--615.00142710; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Ir_P_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.21411069; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Ir_P_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.28362793; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Ni_P_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--612.43676869; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Ni_P_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--612.51983371; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Os_P_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.69994086; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Os_P_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.82575502; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Pd_P_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--612.74686695; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Pd_P_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--612.74281450; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Pt_P_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--605.37316961; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Pt_P_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--605.61382927; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Rh_P_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.74256776; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Rh_P_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.78800610; eV
Login required17-Feb-2023/M_P_din4_x2_c4_c/Ru_P_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--614.63227526; eV
Showing results 28359 to 28378 of 63063 < previous   next >