Charge Transport in DNA - Insights from Simulations

• मुख्य लेखक: Wolter, Mario (auth)
• स्वरूप: इलेक्ट्रोनिक पुस्तक अध्याय
• भाषा: अंग्रेज़ी
• प्रकाशित: KIT Scientific Publishing 2013
• विषय: Chemistry; Charge Transfer; Molecular Dynamics; Charge Transport; Quantum Mechanics; DNA
• ऑनलाइन पहुंच: DOAB: download the publication; DOAB: description of the publication

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...