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

Table S8.

Single-particle component to the Dexter couplings (i.e., using a CIS Hamiltonian with no pure exchange) as a function of energy gap for the linear alkane systems in Table S5

ΔE1,ΔE2, eV Ttr(ne), eV Vtr(ne), eV
6.32, 6.52 5.59×103 5.41×103
11.32, 11.52 1.55×104 1.53×104