1. Institute of Chemical Research of Catalonia

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Showing results 27477 to 27496 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0/Pd_tr_C4X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--633.41792599; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0/Pt_tr_C4X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--634.53749205; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0/Pt_tr_C4X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--634.95782566; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0/Rh_tr_C4X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--636.42200485; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0/Rh_tr_C4X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--636.45712075; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0/Ru_tr_C4X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--638.06521393; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0/Ru_tr_C4X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--638.17118367; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0/Zn_tr_C4X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.55199983; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0/Zn_tr_C4X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.35271951; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Ag_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--650.46511705; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Ag_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--651.66645829; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Au_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--651.10245230; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Au_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--652.09738961; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Cd_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--649.09546029; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Cd_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--650.10009597; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Co_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--658.11123834; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Co_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--659.18691451; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Cu_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--652.36975991; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Cu_tr_C4X0_C5X0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--653.54249597; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4X0_C5X0/Fe_tr_C4X0_C5X0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--659.22631977; eV
Showing results 27477 to 27496 of 62999 < previous   next >