1. Institute of Chemical Research of Catalonia

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Showing results 27678 to 27697 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required31-Jul-2023/M_N_SACs/M_tr_C5N2/Pd_tr_C5N2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--654.35350433; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N2/Pd_tr_C5N2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--655.74059959; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N2/Pt_tr_C5N2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--654.50730473; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N2/Pt_tr_C5N2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--655.89465758; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N2/Rh_tr_C5N2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--656.74951324; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N2/Rh_tr_C5N2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--657.86922095; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N2/Ru_tr_C5N2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--658.55384329; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N2/Ru_tr_C5N2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--659.62572277; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N2/Zn_tr_C5N2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--651.40439209; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N2/Zn_tr_C5N2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--652.76005597; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N3/Ag_tr_C5N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--651.73242871; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N3/Ag_tr_C5N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--653.16100796; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N3/Au_tr_C5N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--651.22011267; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N3/Au_tr_C5N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--652.60882334; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N3/Cd_tr_C5N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--650.67393383; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N3/Cd_tr_C5N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--652.05252489; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N3/Co_tr_C5N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--656.90947546; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N3/Co_tr_C5N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--658.00451329; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N3/Cu_tr_C5N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--653.20970364; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C5N3/Cu_tr_C5N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--654.58659795; eV
Showing results 27678 to 27697 of 63196 < previous   next >