The scope of this review is the nature and dynamics of the singlet excited electronic states
created in nucleic acids and their constituents by UV light. Interest in the UV photochemistry …

A comprehensive review of recent theoretical and experimental advances in the singlet
electronic transitions, excited state structures and dynamics of nucleic acid bases (NABs) …

The excited-state properties of uracil, thymine, and nine other derivatives of uracil have been
studied by steady-state and time-resolved spectroscopy. The excited-state lifetimes were …

The mechanisms that are responsible for the rapid deactivation of the 1nπ* and 1ππ*
excited singlet states of the 9H isomer of adenine have been investigated with …

The electronically excited singlet states of uracil have been studied theoretically using ab
initio multireference configuration interaction methods focusing on the mechanism for …

The low-lying excited singlet states of the Watson–Crick form of the guanine–cytosine base
pair have been investigated with multi-reference ab initio methods (complete-active-space …

Ultrafast decay processes detected after absorption of UV radiation in gas-phase pyrimidine
nucleobases uracil, thymine, and cytosine are ascribed to the barrierless character of the …

The mechanisms which are responsible for the radiationless deactivation of the n π* and
ππ* excited singlet states of thymine have been investigated with multireference ab initio …

The photoinduced relaxation dynamics of pyrimidine nucleobases (uracil, thymine, and
cytosine) was studied using the surface-hopping approach at the semiempirical OM2/MRCI …

Predicting the energetics of chemical transformations requires localizing stationary points on
a potential energy surface. While educts and products of a chemical reaction may be known …