Solvent effects on the excited state characteristics of adenine-thymine base pairs

Abstract

The ability to dissipate electronic excitation and thus prevent photo-induced damage and provide natural protection and photo-stability is, perhaps, the most significant characteristic of DNA bases as the building blocks of life on Earth. Therefore, it is understandable that studies of the excited states of DNA bases have attracted remarkable research interest. The challenge of experimental studies of DNA photo-physics stems from the intrinsic complexity of the dynamical behaviours of the excited states. In this regard, quantum mechanical methods for studying excited electronic states provide helpful insight. In this study we utilize time dependent density functional theory (TDDFT) to analys..