The photophysics and photochemistry of DNA is of great importance due to the potential
damage of the genetic code by UV light. Quantum mechanical studies have played a key …

Ultraviolet light is strongly absorbed by DNA, producing excited electronic states that
sometimes initiate damaging photochemical reactions. Fully mapping the reactive and …

A detailed understanding of the properties of electronic excited states and the reaction
mechanisms that molecules undergo after light irradiation is a fundamental ingredient for …

A comprehensive effort in photodynamical ab initio simulations of the ultrafast deactivation
pathways for all five nucleobases adenine, guanine, cytosine, thymine, and uracil is …

The last few years have seen a surge in interest (both theoretical and experimental) in the
photochemistry of heteroaromatic molecules (eg azoles, phenols), which has served to …

The reaction dynamics of excited electronic states in nucleic acid bases is a key process in
DNA photodamage. Recent ultrafast spectroscopy experiments have shown multicomponent …

Surface hopping dynamics methods using the coupled cluster to approximated second order
(CC2), the algebraic diagrammatic construction scheme to second order (ADC (2)), and the …

Biochemical reactions are subject to the particular environmental conditions of planet earth,
including solar irradiation. How DNA responds to radiation is relevant to human health …

We report the development of programs for on-the-fly surface-hopping dynamics simulations
in the gas and condensed phases on the potential energy surfaces computed by multistate …

A. Photoelectron Spectrometers B. Coincidence Techniques C. Femtosecond Laser
Technology V. Comparison of Time-Resolved Ion With TRPES Measurements A. Mass …