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. Author manuscript; available in PMC: 2007 Mar 2.
Published in final edited form as: J Chem Phys. 2006 May 28;124(20):204510. doi: 10.1063/1.2198820

FIG. 8.

FIG. 8

Location of the excess charge along the chain as a function of time in unperturbed systems (Q=0) for simulations using the (a) 6-31G and (b) 6-31G** basis sets. See Fig. 3 for additional details. Without polarization complete PT is not observed within the 4 ps of the simulation [6-31G basis set in panel (a)].