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(a) G localized hole states of the terminal Gs in the CATG DNA segment.64 (b) Hole states shared between G and A. (c) Histogram of fluctuating HOMO and HOMO-1 energies. Note the significant overlap of the G and A orbital energies. (d) The conductance (σ) computed for individual snapshots of the single strand PNA segment TTTXTTT (X=A,C,T,G) shows scatter over orders of magnitude because of fluctuation in both base energies and inter-base couplings.63
