Gas-phase anions present an ideal playground for the exploration of excited-state dynamics.
They offer control in terms of the mass, extent of solvation, internal temperature, and …

The hydrated electron, e–(aq), has attracted much attention as a central species in radiation
chemistry. However, much less is known about e–(aq) at the water/air surface, despite its …

Charge-transfer-to-solvent states in aqueous halides are ideal systems for studying the
electron-transfer dynamics to the solvent involving a complex interplay between electronic …

Charge transfer between molecules lies at the heart of many chemical processes. Here, we
focus on the ultrafast electron dynamics associated with the formation of charge-transfer-to …

Numerous water remediation technologies continue to be developed with the aim to
mineralize contaminants with particular emphasis on eliminating perfluoroalkyl substances …

This work investigates and describes the structural dynamics taking place following charge-
transfer-to-solvent photo-abstraction of electrons from I− and Br− ions in aqueous solution …

Mixed quantum-classical molecular dynamics simulations have been important tools for
studying the hydrated electron. They generally use a one-electron pseudopotential to …

We use a Mg+ metal to extend the size regime of aqueous clusters to extrapolate to the bulk
limit of the vertical detachment energy (VDE) of the solvated electron to> 3,200, a value …

Understanding the properties of molecular nitrogen N 2 at extreme conditions is the
fundamental problem for atomistic theory and the important benchmark for the capabilities of …

The photoexcitation of aqueous iodide solutions is a prototype for the generation of
electrons in liquid water. Upon one-photon excitation, the precursors of the solvated …