1. Institute of Chemical Research of Catalonia

Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 24837 to 24856 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din4_x2_c3_a/Cd_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--617.96480248; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Cd_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.80592333; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Co_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.62200195; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Co_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.93528728; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Cu_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.07585856; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Cu_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.84932221; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Fe_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.26269410; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Fe_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.64585756; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Ir_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.10553882; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Ir_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.57456843; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Ni_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.64888838; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Ni_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.21085886; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Os_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.75894897; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Os_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.79891333; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Pd_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.99743316; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Pd_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.55538349; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Pt_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.57727354; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Pt_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.13470474; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Rh_N_din4_x2_c3_a rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.23503428; eV
Login required10-Nov-2022/M_N_din4_x2_c3_a/Rh_N_din4_x2_c3_a rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.59247841; eV
Showing results 24837 to 24856 of 63196 < previous   next >