Browsing by Author Minotaki, Maria

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Ni_tr_C4P1_C5P2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--645.14342319; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Os_tr_C4P1_C5P2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--649.23931818; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Os_tr_C4P1_C5P2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--650.11132852; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Pd_tr_C4P1_C5P2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--644.12024295; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Pd_tr_C4P1_C5P2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--644.63286119; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Pt_tr_C4P1_C5P2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--611.15198358; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Pt_tr_C4P1_C5P2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--645.48374291; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Rh_tr_C4P1_C5P2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--646.68257093; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Rh_tr_C4P1_C5P2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--647.54615017; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Ru_tr_C4P1_C5P2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--648.28823610; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Ru_tr_C4P1_C5P2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--649.20090190; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Zn_tr_C4P1_C5P2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--639.60675589; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P1_C5P2/Zn_tr_C4P1_C5P2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--640.11089268; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P2/Ag_tr_C4P2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.14818322; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P2/Ag_tr_C4P2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.87189028; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P2/Au_tr_C4P2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.15995929; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P2/Au_tr_C4P2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.54374418; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P2/Cd_tr_C4P2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.26918845; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P2/Cd_tr_C4P2 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.88181598; eV
Login required31-Jul-2023/M_P_SACs/M_tr_C4P2/Co_tr_C4P2 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.78522547; eV