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. Author manuscript; available in PMC: 2012 Jul 7.
Published in final edited form as: J Phys Chem B. 2011 Jun 14;115(26):8609–8621. doi: 10.1021/jp202619a

Table 4.

Intermonomer couplings averaged over the MD trajectory in units of meV. Upper triangle: couplings of monomer pairs of A–B, B–C and C–A. Lower triangle: couplings of monomer pairs of A–C, B–A and C–B.

1 2 3 4 5 6 7 8
1 0.12 0.04 −0.07 0.08 0.29 0.19 0.11 2.60
2 0.18 −0.05 −0.31 −0.19 0.92 0.65 0.18 0.41
3 0.17 0.01 −0.33 0.70 0.57 0.28 0.49 0.09
4 0.04 0.06 0.08 0.24 −0.07 −0.05 0.24 −0.15
5 0.08 0.11 0.13 −0.01 0.22 0.01 −0.08 0.35
6 0.01 0.09 0.10 0.17 −0.17 −0.18 0.20 −0.90
7 0.04 0.03 −0.09 0.60 −0.20 0.01 0.71 1.08
8 0.01 0.090 0.10 −0.10 0.16 −0.12 −0.28 0.45