1. Institute of Chemical Research of Catalonia

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Showing results 26425 to 26444 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din6_as_c5_12346/Ru_N_din6_as_c5_12346 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.67844457; eV
Login required10-Nov-2022/M_N_din6_as_c5_12346/Zn_N_din6_as_c5_12346 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.29486219; eV
Login required10-Nov-2022/M_N_din6_as_c5_12346/Zn_N_din6_as_c5_12346 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.65090088; eV
Login required10-Nov-2022/M_N_din6_as_c6/Ag_N_din6_as_c6 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.89170671; eV
Login required10-Nov-2022/M_N_din6_as_c6/Ag_N_din6_as_c6 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.11742810; eV
Login required10-Nov-2022/M_N_din6_as_c6/Au_N_din6_as_c6 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.56526830; eV
Login required10-Nov-2022/M_N_din6_as_c6/Au_N_din6_as_c6 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.81836888; eV
Login required10-Nov-2022/M_N_din6_as_c6/Cd_N_din6_as_c6 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--617.34074194; eV
Login required10-Nov-2022/M_N_din6_as_c6/Cd_N_din6_as_c6 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--617.65018945; eV
Login required10-Nov-2022/M_N_din6_as_c6/Co_N_din6_as_c6 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.55683568; eV
Login required10-Nov-2022/M_N_din6_as_c6/Co_N_din6_as_c6 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.87384194; eV
Login required10-Nov-2022/M_N_din6_as_c6/Cu_N_din6_as_c6 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.84664824; eV
Login required10-Nov-2022/M_N_din6_as_c6/Cu_N_din6_as_c6 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.01183111; eV
Login required10-Nov-2022/M_N_din6_as_c6/Fe_N_din6_as_c6 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.14927320; eV
Login required10-Nov-2022/M_N_din6_as_c6/Fe_N_din6_as_c6 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.47898305; eV
Login required10-Nov-2022/M_N_din6_as_c6/Ir_N_din6_as_c6 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.54337467; eV
Login required10-Nov-2022/M_N_din6_as_c6/Ir_N_din6_as_c6 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.01700698; eV
Login required10-Nov-2022/M_N_din6_as_c6/Ni_N_din6_as_c6 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.46224937; eV
Login required10-Nov-2022/M_N_din6_as_c6/Ni_N_din6_as_c6 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.75147672; eV
Login required10-Nov-2022/M_N_din6_as_c6/Os_N_din6_as_c6 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--628.00627716; eV
Showing results 26425 to 26444 of 63196 < previous   next >