Although the toxicity of beryllium compounds causes impediments in experiments involving
them, beryllium chemistry has seen a recent upsurge of interest and considerable progress …

We investigate the underlying principle behind the occurrence of bond stretch isomerism in
Be32−, which has not been revealed yet. Various computational studies of the different …

The alkaline earth metal trimer cluster dianions Be32–and Mg32–lie energetically above
their respective monoanions and can therefore decay by electron autodetachment …

A comprehensive density functional theory study on the dissociative and associative
mechanisms of Grubbs first and second generation olefin metathesis catalysis reveals that …

We present high quality ab initio results (MRCI/aug-cc–pV5Z) on eleven Be 3− states of X∼
2 B 1, 1 2 A 1, 2 4 B 1, 3 4 A 2, 4 2 Π u, 5 4 Π g, 6 2 B 2, 7 4 Σ g-, 8 2 B 1, 9 2 A 2, and 10 2 A …

The domain of aromaticity spans a wide range of molecules, from polycyclic aromatic
hydrocarbons, heterocycles to all-metal systems. Here, in silico we demonstrate the …

Abstract Silicon analogues of bicyclo [1.1. 0] butanes are known to exhibit a bond stretch
isomerism where the bridgehead Si Si bond changes in both length and geometry. The …

The structures and electronic properties of the gaseous M2Pt2 0/− clusters (M represents the
alkaline earth metal) were investigated using the density functional theory (B3LYP and …

The first chapter takes us in a journey of the concept of aromaticity since its inception days.
The genesis of the concept of aromaticity, its chronological advancement, the problem with …