Although the structural difference between the two energetically degenerate (flat and tilted) configurations revealed by methods including RPBE-G06 and optPBE-vdW is quite significant ( Table 1 ), Figure 2(b) indicates that both configurations have nearly identical DOSs.
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Role of the dispersion force in modeling the interfacial properties of molecule-metal interfaces: adsorption of thiophene on copper surfaces.
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