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. 2016 Jul 5;113(29):8115–8120. doi: 10.1073/pnas.1517189113

Table S5.

Couplings for a linear alkane system with a bridge of seven CC bonds (Fig. 2A) as a function of energy gap ΔE

ΔE1,ΔE2, eV Ttr, eV Vtr, eV
6.32, 6.52 2.60×103 2.52×103
11.32, 11.52 1.22×104 1.27×104

ΔE1=aver(Fbn*,bn*)Fd,d, ΔE2=Fd,daver(Fbn,bn).