Conspectus Bridging the gap between atoms and macroscopic matter, clusters continue to
be a subject of increasing research interest. Among the realm of cluster investigations, an …

Miniaturizing metallic materials from the nanoscale to the atomic scale transforms the
structures and physical properties. Among these sub-nanoscale materials, some catalysts …

The concept of aromaticity was originally defined as a property of unsaturated, cyclic planar
organic molecules like benzene, which gain stability by the inherent delocalization of 4 n+ 2 …

The reactivity of aluminum anion clusters with water was found to exhibit variations with size,
with some clusters exhibiting negligible reactivity, others absorbing one or more water, while …

The concept of aromaticity has been advanced beyond the framework of organic chemistry,
and multiple aromaticity (σ, π, and δ) has been observed to account for the highly symmetric …

The 2N2+ 2N+ 1 with S= N+ 1/2 rule represented the extension to open-shell spherical
compounds of the 2 (N+ 1) 2 Hirsch rule for spherical aromatic species. In this work, we …

The concept of aromaticity has dramatically evolved and expanded to where it is no longer
reserved for use in organic chemistry but is also useful in describing the bonding in many …

Clusters of metallic elements with valence electron counts 2, 8, 18, 20,… are known to be
stable with filled electronic shells and large gaps between shells. Through first principles …

Structural information on free transition metal doped aluminum clusters, Al n TM+(TM= Ti, V,
Cr), was obtained by studying their ability for argon physisorption. Systematic size (n= 5–35) …

First principles electronic structure studies on the ground state geometries, stability, and the
electronic structure of Al n Na m and Al n Mg m (m≤ 3, n+ m≤ 15) clusters have been …