Solvation Effects on Hole Mobility in the Poly G/Poly C Duplex
Abstract
Theoretical calculations of solvation contribution to hole energy in a polynucleotide chain give very low hole mobility values at zero temperature, μ < 10-3 cm2/(V s). We calculated hole mobility at physiological temperature for the Poly G/Poly C DNA duplex, which gave substantially larger mobility values. Mobility over the temperature range 20-400 K was calculated. Taking stacking interaction into account substantially increased hole mobility.
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