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 25541 to 25560 of 63063 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din6_as_c2_15/Ni_N_din6_as_c2_15 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.36570104; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Ni_N_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.99776818; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Os_N_din6_as_c2_15 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.35297597; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Os_N_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.88916418; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Pd_N_din6_as_c2_15 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.32788308; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Pd_N_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.99196016; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Pt_N_din6_as_c2_15 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.49201340; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Pt_N_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.18091222; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Rh_N_din6_as_c2_15 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.36156372; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Rh_N_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.03546356; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Ru_N_din6_as_c2_15 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.97297445; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Ru_N_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.55359399; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Zn_N_din6_as_c2_15 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.94662449; eV
Login required10-Nov-2022/M_N_din6_as_c2_15/Zn_N_din6_as_c2_15 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.48340230; eV
Login required10-Nov-2022/M_N_din6_as_c2_16/Ag_N_din6_as_c2_16 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.33548094; eV
Login required10-Nov-2022/M_N_din6_as_c2_16/Ag_N_din6_as_c2_16 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.80911786; eV
Login required10-Nov-2022/M_N_din6_as_c2_16/Au_N_din6_as_c2_16 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.67114465; eV
Login required10-Nov-2022/M_N_din6_as_c2_16/Au_N_din6_as_c2_16 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.13158716; eV
Login required10-Nov-2022/M_N_din6_as_c2_16/Cd_N_din6_as_c2_16 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.73732790; eV
Login required10-Nov-2022/M_N_din6_as_c2_16/Cd_N_din6_as_c2_16 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.30268543; eV
Showing results 25541 to 25560 of 63063 < previous   next >