Atomic clusters lie somewhere in between isolated atoms and extended solids with distinctly
different reactivity patterns. They are known to be useful as catalysts facilitating several …

The efficacy of B40 borospherene to act as a host for noble gas atoms is explored via
density functional theory based computations. Although the Ng@ B40 complexes are …

Endohedral clusters count as molecular models for intermetallic compounds—a class of
compounds in which bonding principles are scarcely understood. Herein we report soluble …

A detailed density functional theory investigation of He2-encapsulated fullerene C36 and
C40 has been presented here. When confinement takes place, He-He bond length shortens …

Herein, a study of the thermodynamic and kinetic stability of compounds containing noble
gases (Ngs) encapsulated within the cage-like structure of recently synthesized …

The present communication shows an unprecedented superelectrophilic behaviour of
dianion [BeB11 (CN) 11] 2−, containing a positively charged electrophilic center embedded …

Separation of Xe/Kr mixtures is significant considering their applications and environmental
hazards. However, the similar chemical and physical properties of Xe and Kr raised the …

The positions of lawrencium (Lr), lutetium (Lu), actinium (Ac) and lanthanum (La) in the
periodic table have been a controversial topic for quite some time. According to studies …

The discovery of fullerenes was a huge milestone in the scientific community, and with it
came the urge to discover and analyze various small and large atomic and molecular …

The effect of substitution in the dodecahedrane (C20H20) cage on bonding in the confined
He dimer is analyzed. The He He distances inside the halogenated dodecahedrane …