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Charge Transport in DNA - Insights from Simulations

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...

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Bibliographic Details
Main Author: Wolter, Mario (auth)
Format: Electronic Book Chapter
Language:English
Published: KIT Scientific Publishing 2013
Subjects:
Chemistry
Charge Transfer
Molecular Dynamics
Charge Transport
Quantum Mechanics
DNA
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Call Number: A1234.567
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