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Beilstein J. Nanotechnol. 2019, 10, 706–717, doi:10.3762/bjnano.10.70
Figure 1: Graphic representation of the molecule–surface distances for all chemical species in TMPP. The imag...
Figure 2: Left: binding energy values, , for all systems and relative molecule–surface positions. Right: symm...
Figure 3: Dipolar moments for all TMPP–metal-surface systems and all relative positions between molecule and ...
Figure 4: Density of states projected over the molecule (gray) and the central TM atom in the molecule. Spin-...
Figure 5: The values of for selected TMPP systems (M = V, Mn, Co; red: positive values, blue: negative value...