1. Institute of Chemical Research of Catalonia

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Showing results 25795 to 25814 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din6_as_c3_123/Os_N_din6_as_c3_123 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.73626100; eV
Login required10-Nov-2022/M_N_din6_as_c3_123/Os_N_din6_as_c3_123 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.21608297; eV
Login required10-Nov-2022/M_N_din6_as_c3_123/Pd_N_din6_as_c3_123 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.47288038; eV
Login required10-Nov-2022/M_N_din6_as_c3_123/Pd_N_din6_as_c3_123 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.90090414; eV
Login required10-Nov-2022/M_N_din6_as_c3_123/Pt_N_din6_as_c3_123 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.69492053; eV
Login required10-Nov-2022/M_N_din6_as_c3_123/Pt_N_din6_as_c3_123 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.12423986; eV
Login required10-Nov-2022/M_N_din6_as_c3_123/Rh_N_din6_as_c3_123 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.65430568; eV
Login required10-Nov-2022/M_N_din6_as_c3_123/Rh_N_din6_as_c3_123 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.17422348; eV
Login required10-Nov-2022/M_N_din6_as_c3_123/Ru_N_din6_as_c3_123 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.95615872; eV
Login required10-Nov-2022/M_N_din6_as_c3_123/Ru_N_din6_as_c3_123 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.44858441; eV
Login required10-Nov-2022/M_N_din6_as_c3_123/Zn_N_din6_as_c3_123 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.63769621; eV
Login required10-Nov-2022/M_N_din6_as_c3_123/Zn_N_din6_as_c3_123 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.16328519; eV
Login required10-Nov-2022/M_N_din6_as_c3_124/Ag_N_din6_as_c3_124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.10798793; eV
Login required10-Nov-2022/M_N_din6_as_c3_124/Ag_N_din6_as_c3_124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.75325096; eV
Login required10-Nov-2022/M_N_din6_as_c3_124/Au_N_din6_as_c3_124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.76405361; eV
Login required10-Nov-2022/M_N_din6_as_c3_124/Au_N_din6_as_c3_124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.40477215; eV
Login required10-Nov-2022/M_N_din6_as_c3_124/Cd_N_din6_as_c3_124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.11524545; eV
Login required10-Nov-2022/M_N_din6_as_c3_124/Cd_N_din6_as_c3_124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.56564697; eV
Login required10-Nov-2022/M_N_din6_as_c3_124/Co_N_din6_as_c3_124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.80222532; eV
Login required10-Nov-2022/M_N_din6_as_c3_124/Co_N_din6_as_c3_124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.25161981; eV
Showing results 25795 to 25814 of 63063 < previous   next >