1. Institute of Chemical Research of Catalonia

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Showing results 25110 to 25129 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Au_N_din4_x2_c4_d_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.32910001; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Cd_N_din4_x2_c4_d_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.25035168; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Cd_N_din4_x2_c4_d_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.28646255; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Co_N_din4_x2_c4_d_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.51266728; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Co_N_din4_x2_c4_d_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.88724784; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Cu_N_din4_x2_c4_d_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.87170235; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Cu_N_din4_x2_c4_d_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.10372076; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Fe_N_din4_x2_c4_d_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.11643244; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Fe_N_din4_x2_c4_d_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.51112838; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Ir_N_din4_x2_c4_d_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.09430542; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Ir_N_din4_x2_c4_d_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.77256970; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Ni_N_din4_x2_c4_d_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.32461098; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Ni_N_din4_x2_c4_d_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.86516881; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Os_N_din4_x2_c4_d_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.38188266; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Os_N_din4_x2_c4_d_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--630.17008828; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Pd_N_din4_x2_c4_d_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.75110547; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Pd_N_din4_x2_c4_d_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.19766352; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Pt_N_din4_x2_c4_d_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.55925532; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Pt_N_din4_x2_c4_d_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.06112345; eV
Login required10-Nov-2022/M_N_din4_x2_c4_d_2/Rh_N_din4_x2_c4_d_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.25209997; eV
Showing results 25110 to 25129 of 63063 < previous   next >