N. S. Fialko scite author profile

Theoretical calculations of solvation contribution to hole energy in a polynucleotide chain give very low hole mobility values at zero temperature, µ < 10 ⎯3 cm 2 /(V s). We calculated hole mobility at physi ological 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 sub stantially increased hole mobility.

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On the calculation of thermodynamic quantities in the Holstein model for homogeneous polynucleotides

Fialko

Sobolev

Лахно

2017

J. Exp. Theor. Phys.

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N. S. Fialko

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Solvation effects on hole mobility in the poly G/Poly C duplex

On the calculation of thermodynamic quantities in the Holstein model for homogeneous polynucleotides

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