Page - 120 - in Charge Transport in DNA - Insights from Simulations

CTinMicrohydratedDNA TableB.4: Ionization potentials (mean value± std. deviation in eV) of the seven in- nermost adenines for sequenceAT indifferent environments. Nucleobase Full Dry1 Dry2 A 5.91±0.31 5.44±0.29 5.55±0.32 A 5.95±0.31 5.52±0.29 5.70±0.31 A 5.96±0.31 5.58±0.29 5.33±0.29 A 5.96±0.31 5.59±0.29 5.31±0.28 A 5.98±0.30 5.54±0.29 5.32±0.27 A 5.96±0.31 5.57±0.30 5.36±0.29 A 5.93±0.31 5.47±0.29 5.27±0.29 TableB.5: Ionizationpotentials (meanvalue± std.deviation ineV)of the eight inner- most purines for sequenceDDindifferent environments. Nucleobase Full Dry1 Dry2 G 5.45±0.32 4.99±0.31 5.14±0.32 G 5.43±0.32 4.99±0.31 5.14±0.32 A 5.82±0.31 5.44±0.30 5.55±0.32 A 5.91±0.30 5.55±0.29 5.56±0.31 A 5.92±0.30 5.54±0.29 5.49±0.29 A 5.83±0.31 5.41±0.29 5.55±0.30 G 5.44±0.32 4.97±0.30 4.99±0.30 G 5.44±0.32 5.00±0.31 5.08±0.30 120