Charge Transport in DNA - Insights from Simulations

• Yazar: Wolter, Mario (auth)
• Materyal Türü: Elektronik Kitap Bölümü
• Dil: İngilizce
• Baskı/Yayın Bilgisi: KIT Scientific Publishing 2013
• Konular: Chemistry; Charge Transfer; Molecular Dynamics; Charge Transport; Quantum Mechanics; DNA
• Online Erişim: 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...