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. 2009 Nov 30;113(51):16384–16392. doi: 10.1021/jp9054582

Figure 2.

Figure 2

Comparison of the electrostatic energy of the hole (defined in the text) with the IP of the DNA oligomer d[5′-(G)N-3′]·d[3′-(C)N-5′] as a function of the number N of base pairs for the 55th fiber model structure and the 4th fiber model structure, as indicated. The symbols and lines are the same as those in Figure 1b except that the open symbols denote the electrostatic energy of the hole. Open circles: the one in the neutral state in water. Open triangles: the DNA oligomer in the gas phase. Open inverted triangles: the DNA oligomer in the gas phase but with the charge distribution of the DNA oligomer in the neutral state in water.