1. Institute of Chemical Research of Catalonia

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Showing results 26177 to 26196 of 63047 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din6_as_c4_6124/Fe_N_din6_as_c4_6124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.34157753; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Fe_N_din6_as_c4_6124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.91826281; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Ir_N_din6_as_c4_6124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.68467715; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Ir_N_din6_as_c4_6124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.52899897; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Ni_N_din6_as_c4_6124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.71768864; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Ni_N_din6_as_c4_6124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.18694545; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Os_N_din6_as_c4_6124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.60451575; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Os_N_din6_as_c4_6124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.24725331; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Pd_N_din6_as_c4_6124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.42669812; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Pd_N_din6_as_c4_6124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.94473654; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Pt_N_din6_as_c4_6124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.73177680; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Pt_N_din6_as_c4_6124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.26075932; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Rh_N_din6_as_c4_6124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.40358752; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Rh_N_din6_as_c4_6124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.01115199; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Ru_N_din6_as_c4_6124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.85035691; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Ru_N_din6_as_c4_6124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.46032958; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Zn_N_din6_as_c4_6124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.55340828; eV
Login required10-Nov-2022/M_N_din6_as_c4_6124/Zn_N_din6_as_c4_6124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.87749198; eV
Login required10-Nov-2022/M_N_din6_as_c4_6125/Ag_N_din6_as_c4_6125 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.18910761; eV
Login required10-Nov-2022/M_N_din6_as_c4_6125/Ag_N_din6_as_c4_6125 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.55357535; eV
Showing results 26177 to 26196 of 63047 < previous   next >