1. Institute of Chemical Research of Catalonia

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Showing results 25130 to 25149 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Nov-2022/M_N_din4_x2_c4_c/Os_N_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.51483990; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c/Pd_N_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.61188821; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c/Pd_N_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.95907984; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c/Pt_N_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.42021654; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c/Pt_N_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.85403278; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c/Rh_N_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.81525002; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c/Rh_N_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.34030190; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c/Ru_N_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.02839449; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c/Ru_N_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.59900476; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c/Zn_N_din4_x2_c4_c rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.55755137; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c/Zn_N_din4_x2_c4_c rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.62230497; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c_2/Ag_N_din4_x2_c4_c_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.80388832; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c_2/Ag_N_din4_x2_c4_c_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.28138096; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c_2/Au_N_din4_x2_c4_c_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.28930754; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c_2/Au_N_din4_x2_c4_c_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.76671357; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c_2/Cd_N_din4_x2_c4_c_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.20853954; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c_2/Cd_N_din4_x2_c4_c_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.43715471; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c_2/Co_N_din4_x2_c4_c_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.52770586; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c_2/Co_N_din4_x2_c4_c_2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.80895845; eV
Login required10-Nov-2022/M_N_din4_x2_c4_c_2/Cu_N_din4_x2_c4_c_2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.93074425; eV
Showing results 25130 to 25149 of 63196 < previous   next >