Charge Transport in DNA - Insights from Simulations

• Autore principale: Wolter, Mario (auth)
• Natura: Elettronico Capitolo di libro
• Lingua: inglese
• Pubblicazione: KIT Scientific Publishing 2013
• Soggetti: Chemistry; Charge Transfer; Molecular Dynamics; Charge Transport; Quantum Mechanics; DNA
• Accesso online: 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...