Much interest has been evinced on the properties of weakly bound van der Waals
complexes of π-systems because of their utility in diverse fields (Figure 1). 1-14 Theoretical …

The hydrated electron is a fascinating species that has captured the scientific attention of
chemists for more than 50 years. Although the experimental detection of the hydrated …

An ab initio molecular dynamics simulation of liquid water has been performed using density
functional theory in the Kohn–Sham formulation and a plane wave basis set to determine the …

A detailed molecular orbital (MO) analysis of the structure and electronic properties of the
great variety of species in lithium–ammonia solutions is provided. In the odd‐electron …

Recently there has been a revival of interest in the basic structure of the aqueous or
“hydrated” electron, e−(aq). According to the conventional picture, this species occupies a …

A comprehensive state-of-the-art ab initio study is performed on the wet electron—an
electron interacting with a small cluster of water molecules—in the water hexamer system …

This chapter discusses excited electronic states of anions that possess enough energy to
access an electronic continuum, or in other words, excited states where the excitation …

Transient pump− probe spectroscopy of equilibrated solvated electrons is carried out in
aqueous NaCl solution (5.9 M) in the visible and near-infrared using pulses of 100− 170 fs …

Although various low-lying energy structures of electron–water clusters, e−–(H 2 O) 2–6,
have been reported, some of the global minimum energy structures (in particular, for the …

We have studied the electronic structures, energetics, electron vertical detachment energies
(VDEs), and O–H vibrational spectra of various conformers of water clusters with an excess …