The electron count of gas-phase clusters is increased gradually by element substitution in
order to mimic the total number of electrons of known stable closo-clusters. A combination of …

Amidst the general bonding patterns designed to explain stability aromaticity has leading
role. Going far away beyond classic notion of organic chemistry aromaticity was proven to be …

First-principles theoretical studies have been carried out to investigate the stability of Sin
cages impregnated with a Fe atom. It is shown that FeSi9, FeSi11, and FeSi14 clusters …

The structures of gold-doped bismuth clusters, AuBi n–(n= 4–8), are investigated through a
joint photoelectron spectroscopy and density functional theory (DFT) study. Well-resolved …

Boronyl (BO) is a monovalent σ radical with a B O triple bond. Its chemistry has remained
relatively unknown, though analogy has been established for BO with monovalent atoms …

Small zinc-doped tin clusters SnnZn, n= 1–12, are studied using DFT and CCSD (T)
methods. The isomers are located using a stochastic search algorithm. The growth …

Electronic structure studies on Mg m B n−(1≤ n≤ 15, 0≤ m≤ 3) clusters have been
performed to identify the nature of bonding and the origin of stability in the mixed clusters …

Zintl (group IV elements) clusters with a special number of valence electrons often exhibit
extraordinary structures and chemical bonding patterns, and the stability of them is …

The article focuses on experimental and theoretical evidence showing the formation of
neutral nine-atom clusters of tin and bismuth (Sn-Bi) by mimicking of the electronic and …

Abstract Single Cr, Mn, Fe, Co and Ni doped Al clusters having up to 12 Al atoms are studied
using density functional methods. The global minima of structure for all the clusters are …