Page - 119 - in Charge Transport in DNA - Insights from Simulations

B.2ElectronicCouplings B.3 IonizationPotentials TableB.2: Ionization potentials (mean value± std. deviation in eV) of the seven in- nermost adenines for sequenceAA indifferent environments. Nucleobase Full Dry1 Dry2 A 5.85±0.31 5.37±0.30 5.36±0.32 A 5.87±0.31 5.45±0.29 5.53±0.30 A 5.86±0.31 5.45±0.30 5.49±0.29 A 5.86±0.31 5.44±0.29 5.57±0.30 A 5.86±0.31 5.41±0.30 5.57±0.31 A 5.85±0.31 5.44±0.30 5.59±0.29 A 5.84±0.31 5.49±0.30 5.44±0.29 TableB.3: Ionization potentials (mean value± std. deviation in eV) of the seven in- nermost purines for sequenceAG indifferent environments. Nucleobase Full Dry1 Dry2 A 5.88±0.31 5.40±0.30 5.58±0.31 G 5.48±0.32 5.03±0.31 5.00±0.32 A 5.86±0.31 5.42±0.30 5.42±0.30 G 5.49±0.32 5.07±0.32 5.10±0.31 A 5.85±0.31 5.48±0.30 5.37±0.29 G 5.47±0.32 5.09±0.31 5.06±0.30 A 5.86±0.31 5.41±0.30 5.30±0.31 119