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. 2015 Feb 10;5:8350. doi: 10.1038/srep08350

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(a) Projected Density of States (PDOS) for H₂-TPP, Cu₃Au surface is not included. Orbital decomposed charge density for HOMO (b) and LUMO (c) from H₂-TPP, at Γ-point, showing the hybridization between π-states from TPP and d-sates from Cu₃Au just in the case of LUMO. Note that in the case of HOMO, there is no relevant hybridization between surface and molecule. Only two charge densities are shown for HOMO and LUMO from a total of 11 bands in each case, for monoelectronic wavefunction calculated considering the molecule/substrate atomic model of Figure 6b.