1. Institute of Chemical Research of Catalonia

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Showing results 26385 to 26404 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din6_s_c1/Pd_N_din6_s_c1 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.15598240; eV
Login required10-Nov-2022/M_N_din6_s_c1/Pt_N_din6_s_c1 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.27995998; eV
Login required10-Nov-2022/M_N_din6_s_c1/Pt_N_din6_s_c1 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.76469667; eV
Login required10-Nov-2022/M_N_din6_s_c1/Rh_N_din6_s_c1 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.27656489; eV
Login required10-Nov-2022/M_N_din6_s_c1/Rh_N_din6_s_c1 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.94735840; eV
Login required10-Nov-2022/M_N_din6_s_c1/Ru_N_din6_s_c1 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--608.21051333; eV
Login required10-Nov-2022/M_N_din6_s_c1/Ru_N_din6_s_c1 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--608.86889543; eV
Login required10-Nov-2022/M_N_din6_s_c1/Zn_N_din6_s_c1 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--602.43532632; eV
Login required10-Nov-2022/M_N_din6_s_c1/Zn_N_din6_s_c1 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--602.84687414; eV
Login required10-Nov-2022/M_N_din6_s_c2_01/Ag_N_din6_s_c2_01 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--602.67996551; eV
Login required10-Nov-2022/M_N_din6_s_c2_01/Ag_N_din6_s_c2_01 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--603.30505803; eV
Login required10-Nov-2022/M_N_din6_s_c2_01/Au_N_din6_s_c2_01 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--603.38464766; eV
Login required10-Nov-2022/M_N_din6_s_c2_01/Au_N_din6_s_c2_01 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--603.99688840; eV
Login required10-Nov-2022/M_N_din6_s_c2_01/Cd_N_din6_s_c2_01 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--601.67833282; eV
Login required10-Nov-2022/M_N_din6_s_c2_01/Cd_N_din6_s_c2_01 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--602.26803794; eV
Login required10-Nov-2022/M_N_din6_s_c2_01/Co_N_din6_s_c2_01 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.84443366; eV
Login required10-Nov-2022/M_N_din6_s_c2_01/Co_N_din6_s_c2_01 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.44893159; eV
Login required10-Nov-2022/M_N_din6_s_c2_01/Cu_N_din6_s_c2_01 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--603.73518899; eV
Login required10-Nov-2022/M_N_din6_s_c2_01/Cu_N_din6_s_c2_01 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--604.34186159; eV
Login required10-Nov-2022/M_N_din6_s_c2_01/Fe_N_din6_s_c2_01 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--608.13627919; eV
Showing results 26385 to 26404 of 62999 < previous   next >