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Charge Transport in DNA - Insights from Simulations
Mario Wolter
2013
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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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Keywords
- charge transfer
- Charge Transport
- DNA
- Molecular Dynamics
- quantum mechanics
- thema EDItEUR::P Mathematics and Science::PN Chemistry
Links
DOI: 10.5445/KSP/1000036065Editions