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 25427 to 25446 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din6_as_c2_12/Ir_N_din6_as_c2_12 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.73325282; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Ir_N_din6_as_c2_12 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.31306150; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Ni_N_din6_as_c2_12 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.56849802; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Ni_N_din6_as_c2_12 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.05631695; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Os_N_din6_as_c2_12 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.63030526; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Os_N_din6_as_c2_12 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.19694942; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Pd_N_din6_as_c2_12 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.41127899; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Pd_N_din6_as_c2_12 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.13680832; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Pt_N_din6_as_c2_12 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.53136930; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Pt_N_din6_as_c2_12 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.27549311; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Rh_N_din6_as_c2_12 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.45445468; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Rh_N_din6_as_c2_12 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.05886913; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Ru_N_din6_as_c2_12 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.80147846; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Ru_N_din6_as_c2_12 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.39796009; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Zn_N_din6_as_c2_12 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.90963298; eV
Login required10-Nov-2022/M_N_din6_as_c2_12/Zn_N_din6_as_c2_12 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.40547403; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Ag_N_din6_as_c2_13 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.68217084; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Ag_N_din6_as_c2_13 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.19763905; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Au_N_din6_as_c2_13 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.12679405; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Au_N_din6_as_c2_13 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.62083525; eV
Showing results 25427 to 25446 of 62999 < previous   next >