Over the past three decades, carbon nanotubes and fullerenes have become remarkable
objects for starting the implementation of new models and technologies in different branches …

Cationic species with noble gas (Ng)-hydrogen bonds play a major role in the gas-phase ion
chemistry of the group 18 elements. These species first emerged more than 90 years ago …

Antitumor effect of drugs can be enhanced by attaching these drugs to nanoparticles, in
particular to fullerenes. In the present work the interaction between fullerene C 70 and …

The encapsulation of He inside C20H20 cage has been investigated in the framework of
molecular dynamics for incident atom energy in a range close to the threshold value …

Twenty years have already been passed since the endohedral fullerene's void ceaselessly
attracts attention of both, experimentalists and theoreticians, computational chemists and …

An in silico study on the properties of HF and its dimer inside C60 using density functional
theory (DFT) based approaches is presented. For this purpose, 10 different DFT functionals …

Detection of complex organic species in space has been one of the biggest challenges of
the astrophysical community since the beginning of space exploration, with C60-fullerene …

A detailed exploration of the energy landscape is a necessary criterion for an efficient
structure prediction. Although computational power has increased many-folds in recent …

Noble gas can be no noble in certain situations from the perspective of structure, bonding,
and reactivity. These situations could be extreme experimental conditions or others. In this …

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 …