Understanding the properties of electronically excited states is a challenging task that
becomes increasingly important for numerous applications in chemistry, molecular physics …

This review describes how conical intersections affect measured molecular spectra and
simple photofragmentation processes. We consider excitations that result in electron …

Nonadiabatic events, in which the Born-Oppenheimer approximation breaks down, are
ubiquitous in chemistry and biology. It is now widely accepted that they are facilitated by …

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 …

High-resolution measurements of the kinetic energies of hydrogen atom fragments formed
during ultraviolet photolysis of imidazole, pyrrole, and phenol in the gas phase confirm that …

Using recently developed full-dimensional coupled quasi-diabatic ab initio potential energy
surfaces including four electronic (1ππ, 1ππ*, 11πσ*, and 21πσ*) states, the tunneling …

Ultrafast dynamics in isolated molecules and molecular clusters - IOPscience Skip to
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Nonadiabatic dynamics, which goes beyond the Born–Oppenheimer approximation, has
increasingly been shown to play an important role in chemical processes, particularly those …

This Perspective addresses the use of coupled diabatic potential energy surfaces (PESs)
together with rigorous quantum dynamics in full or reduced dimensional coordinate spaces …

The role of electron-and proton-transfer processes in the photophysics of hydrogen-bonded
molecular systems has been investigated with ab initio electronic-structure calculations …