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 25407 to 25426 of 63047 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
Login required10-Nov-2022/M_N_din6_as_c2_13/Cd_N_din6_as_c2_13 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.96367444; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Cd_N_din6_as_c2_13 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.64594123; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Co_N_din6_as_c2_13 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.49810874; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Co_N_din6_as_c2_13 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.88588904; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Cu_N_din6_as_c2_13 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.98381843; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Cu_N_din6_as_c2_13 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.43455583; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Fe_N_din6_as_c2_13 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.71440936; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Fe_N_din6_as_c2_13 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.17795108; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Ir_N_din6_as_c2_13 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.49184891; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Ir_N_din6_as_c2_13 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.87434349; eV
Login required10-Nov-2022/M_N_din6_as_c2_13/Ni_N_din6_as_c2_13 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.41734326; eV
Showing results 25407 to 25426 of 63047 < previous   next >