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- W2014110931 abstract "The positive charge transfer in DNA is investigated, using the first principle treatment of the electron-vibrational interaction. We show that rearrangements of atoms belonging to base pairs induced by charge transfer are essentially quantum mechanical in nature. Particularly at room temperature, around half of the rearrangements occur via quantum tunneling, while the other half takes place via thermally activated transitions. This effect reduces activation energies for charge transfer between both AT and GC pairs by a factor of two compared to their classical values. These behaviors are described within small polaron theory for the non-adiabatic charge transfer and compared to the experimental data and previous theoretical studies." @default.
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- W2014110931 date "2012-01-01" @default.
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- W2014110931 title "Temperature dependence for the rate of hole transfer in DNA: Nonadiabatic regime" @default.
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- W2014110931 doi "https://doi.org/10.1016/j.chemphys.2011.11.017" @default.
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