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The simulations of the unsupported TbPc2 were performed with a tetragonal supercell with dimensions of 20.10 Å in the Pc plane and of 14.08 Å along the molecular z-axis. X-ray diffraction coordinates of the TbDD molecular crystal were fully relaxed according to the Hellmann-Feynman forces.
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The conductance maps have been recorded simulataneously to the topographic image by means of a lock-in technique applying a sample bias modulation of 20 mV
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The conductance maps have been recorded simulataneously to the topographic image by means of a lock-in technique applying a sample bias modulation of 20 mV.
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