EAN: 9783731500827

CHARGE TRANSPORT IN DNA - INSIGHTS FROM SIMULAT...

Charge transport and charge transfer (CT) capabilities of deoxyribonucleic acid (DNA) are
investigated. A QM MM multi-scale framework is applied to calculate the CT capabilities of DNA
under conditions resembling the experimental setup. The simulations are able to explain and
predict the outcome of experiments and therefore make suggestions in advance. Based on the
findings  suitable DNA sequences can be opted for the design of DNA-based devices as nano-scale
electronic elements.

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