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. Author manuscript; available in PMC: 2011 Dec 9.
Published in final edited form as: J Phys Chem A. 2010 Nov 10;114(48):12739–12754. doi: 10.1021/jp107557p

Table 3.

Different components of the fragment interaction energy (in kcal/mol) for stacked thymine oligomers.

Length of oligomers Frag. interaction energy Coulomb energy Exch-repulsion energy Polarization energy Dispersion energy

2 −3.75 0.21 1.47 −0.28 −5.15
3 −7.68 0.35 2.93 −0.56 −10.41
4 −11.63 0.48 4.40 −0.83 −15.68
5 −15.60 0.59 5.87 −1.09 −20.96
6 −19.57 0.69 7.34 −1.36 −26.24
7 −23.57 0.76 8.81 −1.61 −31.52
8 −27.55 0.84 10.28 −1.87 −36.80
9 −31.53 0.93 11.75 −2.12 −42.09
10 −35.51 1.02 13.22 −2.38 −47.37
12 −43.44 1.23 16.16 −2.90 −57.93
14 −51.37 1.45 19.10 −3.42 −68.50
16 −59.32 1.64 22.04 −3.94 −79.06
18 −67.26 1.85 24.98 −4.46 −89.62
20 −75.19 2.05 27.91 −4.98 −100.17