1. Institute of Chemical Research of Catalonia

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Showing results 31925 to 31944 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required16-Feb-2023/M_S_din6_as_c2_15/Os_S_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--609.35501032; eV
Login required16-Feb-2023/M_S_din6_as_c2_15/Pd_S_din6_as_c2_15 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--605.18069925; eV
Login required16-Feb-2023/M_S_din6_as_c2_15/Pd_S_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--605.64644844; eV
Login required16-Feb-2023/M_S_din6_as_c2_15/Pt_S_din6_as_c2_15 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.31721879; eV
Login required16-Feb-2023/M_S_din6_as_c2_15/Pt_S_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.76437882; eV
Login required16-Feb-2023/M_S_din6_as_c2_15/Rh_S_din6_as_c2_15 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.73583150; eV
Login required16-Feb-2023/M_S_din6_as_c2_15/Rh_S_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.05898077; eV
Login required16-Feb-2023/M_S_din6_as_c2_15/Ru_S_din6_as_c2_15 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.75642647; eV
Login required16-Feb-2023/M_S_din6_as_c2_15/Ru_S_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--608.13621212; eV
Login required16-Feb-2023/M_S_din6_as_c2_15/Zn_S_din6_as_c2_15 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--601.56160545; eV
Login required16-Feb-2023/M_S_din6_as_c2_15/Zn_S_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--601.96091589; eV
Login required16-Feb-2023/M_S_din6_as_c2_16/Ag_S_din6_as_c2_16 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--601.15451807; eV
Login required16-Feb-2023/M_S_din6_as_c2_16/Ag_S_din6_as_c2_16 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--601.45057735; eV
Login required16-Feb-2023/M_S_din6_as_c2_16/Au_S_din6_as_c2_16 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--602.29017700; eV
Login required16-Feb-2023/M_S_din6_as_c2_16/Au_S_din6_as_c2_16 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--602.56608439; eV
Login required16-Feb-2023/M_S_din6_as_c2_16/Cd_S_din6_as_c2_16 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--599.61033935; eV
Login required16-Feb-2023/M_S_din6_as_c2_16/Cd_S_din6_as_c2_16 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--599.98425842; eV
Login required16-Feb-2023/M_S_din6_as_c2_16/Co_S_din6_as_c2_16 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.75777457; eV
Login required16-Feb-2023/M_S_din6_as_c2_16/Co_S_din6_as_c2_16 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.16705399; eV
Login required16-Feb-2023/M_S_din6_as_c2_16/Cu_S_din6_as_c2_16 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--602.80862558; eV
Showing results 31925 to 31944 of 62999 < previous   next >