We report the study of small lithium clusters Li n 0/+ 1/-1 (n= 5− 7), performed via the novel
Gradient Embedded Genetic Algorithm (GEGA) technique and molecular orbital analysis …

Density functional (DF) calculations have been performed for lithium clusters Li n and their
monoxides Li n O with up to ten atoms. There are numerous stable structures, and new …

Structural and energetic properties of small, deceptively simple anionic clusters of lithium, Li
n−, n= 3–7, were determined using a combination of anion photoelectron spectroscopy and …

A novel method for simulating the statistical mechanics of molecular systems in which both
nuclear and electronic degrees of freedom are treated quantum mechanically is presented …

Density functional calculations using B3LYP/6‐311G method have been carried out for small
to medium‐sized lithium clusters (LiN, N= 2–30). The optimized geometries of neutral and …

A pseudorotating state of Li 5 observed in a recent EPR experiment is investigated using the
local density functional method. The calculated isotropic spin population indicates that a …

The geometry of the Li5 cluster has been optimized at the generalized valence bond (GVB)
and complete active space self-consistent field (CASSCF) levels of theory utilizing ab initio …

A rotating cryostat was used to trap the Group 1 metal atoms in adamantane and
cyclohexane matrices at 77 K. Electron paramagnetic resonance spectra of matrix‐isolated …

A rotating cryostat has been used to generate several new naked metal clusters whose
structures and reactions have been studied by EPR spectroscopy. Most alkali-metal trimers …

The application of electron paramagnetic resonance (EPR) spectroscopy in determining the
geometric and electronic structures of small naked clusters, Mn, of the alkali and coinage …