Estimating the conductivity of DNA

Rosa Di Felice gave an interesting talk about computational studies of the electronic structure of DNA based systems. A combined experimental-theoretical review is here.

A key quantity for calculating the electron transfer rate (and conductivity) is the transfer integral (tight binding hopping integral). Rosa mentioned this nice methodological paper from J. Chem. Phys. which shows how to extract this parameter from methods such as DFT.

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