1. Institute of Chemical Research of Catalonia

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Showing results 27774 to 27793 of 63047 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required17-Feb-2023/M_P_din4_x2_c2_b/Fe_P_din4_x2_c2_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--613.14977831; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Ir_P_din4_x2_c2_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--613.48654879; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Ir_P_din4_x2_c2_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--614.05446598; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Ni_P_din4_x2_c2_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--610.81376125; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Ni_P_din4_x2_c2_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--611.06319241; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Os_P_din4_x2_c2_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--614.78091876; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Os_P_din4_x2_c2_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--615.36019855; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Pd_P_din4_x2_c2_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--610.11405461; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Pd_P_din4_x2_c2_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--610.38244938; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Pt_P_din4_x2_c2_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--611.78874196; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Pt_P_din4_x2_c2_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--611.97359527; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Rh_P_din4_x2_c2_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--611.99753008; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Rh_P_din4_x2_c2_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--612.56715962; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Ru_P_din4_x2_c2_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--613.25422665; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Ru_P_din4_x2_c2_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--613.84215171; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Zn_P_din4_x2_c2_b rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--605.40970768; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b/Zn_P_din4_x2_c2_b rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.55033761; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b_v2/Ag_P_din4_x2_c2_b_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.98788912; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b_v2/Ag_P_din4_x2_c2_b_v2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.39269222; eV
Login required17-Feb-2023/M_P_din4_x2_c2_b_v2/Au_P_din4_x2_c2_b_v2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--608.44346711; eV
Showing results 27774 to 27793 of 63047 < previous   next >