Carbon centres in typical organic molecules have a coordination number that can reach a
maximum of four, in which case the bonded atoms are situated at the vertices of a …

Superalkalis are clusters or molecules featuring lower ionization energies (IEs) than that of
cesium atoms, and thus exhibit excellent reducing properties. Such special species have …

Abstract Adamantane (C 10 H 16), the smallest diamondoid molecule, has sparked
considerable scientific interest due to its symmetric, single cage-shaped structure. In the …

Systematic analysis of the noble gas (Ng= He–Rn) trap** capacity of the B 12 N 12 cluster
were performed at the PBE0-D3/def2-TZVP level by means of thermochemical data …

This Review presents the current status of the noble gas (Ng)‐noble metal chemistry, which
began in 1977 with the detection of AuNe+ through mass spectroscopy and then grew from …

Noble gases (Ngs) are the least reactive elements in the periodic table towards chemical
bond formation when compared with other elements because of their completely filled …

The global minimum geometries of BeCN2 and BeNBO are linear BeN–CN and BeN–BO,
respectively. The Be center of BeCN2 binds He with the highest Be–He dissociation energy …

Superatoms have exciting properties, including diverse functionalization, redox activity, and
magnetic ordering, so the resulting cluster-assembled solids hold the promise of high …

The stability of Ng n@ B 12 N 12 and Ng n@ B 16 N 16 systems is assessed through a
density functional study and ab initio simulation. Although they are found to be …

Guided by density functional theory (DFT) computations, a new series of superalkali‐based
alkalides, namely FLi2+ (aza222) K−, OLi3+ (aza222) K−, NLi4+ (aza222) K−, and Li3+ …