Page - 121 - in Charge Transport in DNA - Insights from Simulations

B.2ElectronicCouplings TableB.6: Ionization potentials (mean value± std. deviation in eV) of the seven in- nermost guanines for sequenceGG indifferent environments. Nucleobase Full Dry1 Dry2 G 5.50±0.33 5.08±0.32 5.10±0.31 G 5.50±0.32 5.12±0.32 5.12±0.31 G 5.50±0.32 5.13±0.31 5.10±0.31 G 5.50±0.32 5.10±0.31 5.04±0.31 G 5.50±0.32 5.09±0.31 5.01±0.31 G 5.50±0.32 5.07±0.31 5.01±0.31 G 5.49±0.32 5.08±0.32 5.05±0.31 TableB.7: Ionization potentials (mean value± std. deviation in eV) of the seven in- nermost guanines for sequenceGC indifferent environments. Nucleobase Full Dry1 Dry2 G 5.44±0.44 5.10±0.30 5.02±0.29 G 5.42±0.44 5.03±0.31 5.00±0.31 G 5.42±0.41 5.10±0.31 5.08±0.31 G 5.42±0.40 4.96±0.30 4.93±0.30 G 5.41±0.41 5.08±0.31 5.03±0.30 G 5.41±0.40 4.94±0.31 4.90±0.30 G 5.42±0.43 5.03±0.31 5.13±0.30 121