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Charge Transport in DNA - Insights from Simulations by Mario Wolter

Charge Transport in DNA - Insights from Simulations

by Mario Wolter
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Book cover type: Paperback
  • ISBN13: 9783731500827
  • Binding: Paperback
  • Subject: N/A
  • Publisher: Karlsruher Institut Fur Technologie
  • Publisher Imprint: Karlsruher Institut Fur Technologie
  • Publication Date:
  • Pages: 154
  • Original Price: GBP 45.0
  • Language: English
  • Edition: N/A
  • Item Weight: 254 grams
  • BISAC Subject(s): Chemistry / General

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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