1. Institute of Chemical Research of Catalonia

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Showing results 27731 to 27750 of 63313 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Fe_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--659.22631977; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Fe_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--660.26833560; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Ir_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--659.38776653; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Ir_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--660.53316929; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Ni_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--655.74185234; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Ni_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--657.07447758; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Os_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--661.02246973; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Os_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--662.15476045; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Pd_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--655.16265227; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Pd_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--656.49858902; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Pt_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--656.16792031; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Pt_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--657.63060110; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Rh_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--658.39318014; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Rh_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--659.45672640; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Ru_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--659.85638327; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Ru_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--661.02292505; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Zn_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--649.32373514; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Zn_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--651.06924342; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N1/Ag_tr_C5N1 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--651.05715221; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N1/Ag_tr_C5N1 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--652.46958236; eV
Showing results 27731 to 27750 of 63313 < previous   next >