1. Institute of Chemical Research of Catalonia

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Showing results 27798 to 27817 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required17-Feb-2023/M_P_din4_x2_c1_a/Zn_P_din4_x2_c1_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--602.89364162; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a/Zn_P_din4_x2_c1_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--603.31309955; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Ag_P_din4_x2_c1_a_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--604.21544490; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Ag_P_din4_x2_c1_a_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--604.76286894; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Au_P_din4_x2_c1_a_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--605.33096179; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Au_P_din4_x2_c1_a_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--605.84390345; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Cd_P_din4_x2_c1_a_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--601.95661927; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Cd_P_din4_x2_c1_a_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--602.42803145; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Co_P_din4_x2_c1_a_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--610.70772445; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Co_P_din4_x2_c1_a_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--611.00014777; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Cu_P_din4_x2_c1_a_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.31815261; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Cu_P_din4_x2_c1_a_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.95245107; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Fe_P_din4_x2_c1_a_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--611.38072694; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Fe_P_din4_x2_c1_a_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--612.06641217; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Ir_P_din4_x2_c1_a_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--611.44249412; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Ir_P_din4_x2_c1_a_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--611.81652934; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Ni_P_din4_x2_c1_a_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--609.11187222; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Ni_P_din4_x2_c1_a_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--609.58222163; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Os_P_din4_x2_c1_a_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--613.34487608; eV
Login required17-Feb-2023/M_P_din4_x2_c1_a_v2/Os_P_din4_x2_c1_a_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--614.06286236; eV
Showing results 27798 to 27817 of 63196 < previous   next >