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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Original Russian Text © V.D. Lakhno, N.S. Fialko, 2012, published in Zhurnal Fizicheskoi Khimii, 2012, Vol. 86, No. 5, pp. 928–933.
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Lakhno, V.D., Fialko, N.S. Solvation effects on hole mobility in the poly G/Poly C duplex. Russ. J. Phys. Chem. 86, 832–836 (2012). https://doi.org/10.1134/S0036024412050196
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DOI: https://doi.org/10.1134/S0036024412050196