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. Author manuscript; available in PMC: 2020 Oct 24.
Published in final edited form as: Phys Chem Chem Phys. 2019 Oct 24;21(41):22869–22878. doi: 10.1039/c9cp04805g

Table 3.

Reorganization energy (λD–A) and hole-transfer rate (kD–A) values for the indicated base-pair dimers in 2’-FANA, using the S1, S2 and S3 dielectric constant sets.

2’F-ANA S1 S2 S3
λDA(eV) kDA(s1) λDA(eV) kDA(s1) λDA(eV) kDA(s1)

TA-A2T 1.88 4.21 × 105 2.62 2.65 × 102 1.94 2.31 × 105

A2T-A1T 1.29 9.95 × 107 1.73 1.19 × 106 1.33 6.64 × 107

A1T-GC
GC- A1T
1.38 3.37 × 108
2.13 × 106
1.82 4.17 × 106
2.64 × 104
1.42 2.26 × 108
1.43 × 106

GC-CG 1.72 1.83 × 105 2.28 6.81 × 102 1.77 1.11 × 105