This theoretical study focuses on the adsorption, reactivity, topological analysis, and sensing
behavior of metal-doped (K, Na, and Mg) aluminum nitride (Al12N12) nanoclusters using the …

In this paper, we propose a kinetic description for the growth and evaporation of oxygen-rich,
dirty dust particles, which consist of numerous small islands of different solid materials like …

The structure and energy of aluminum nitride cages (AlN) n (n= 2− 41) have been
investigated theoretically. The most stable cages have been constructed on the basis of a …

We report the results of a theoretical study of Al n N n, Ga n N n, and In n N n (with n= 4, 5, 6)
clusters, focusing on their structural properties, stability, and electronic structure. For Al n N n …

The capability of Li-decorated (AlN) n (n= 12, 24, 36) nanocages for hydrogen storage has
been studied by using density functional theory (DFT) with the generalized gradient …

Dust formation in brown dwarf atmospheres is studied by utilising a model for driven
turbulence in the mesoscopic scale regime. We apply a pseudo-spectral method where …

We report the results of a theoretical study of M n N n (M= Al, Ga, and In; n= 4, 5, 6) neutral
and anionic clusters, focusing on the changes in structural and electronic properties upon …

We report a density functional study of alternate fullerenelike cage structures and finite
closed, capped single-wall nanotubes of aluminum nitride. The cages and nanotubes …

We report the results of a theoretical study of Al n N n (n= 7− 16) clusters that is based on
density functional theory. We will focus on the evolution of structural and electronic …

In this study, the potential energy curves are calculated for the a 1 Σ+, b 1 Π, c 1 Δ, d 1 Σ+, e
1 Π, f 1 Δ, and g 1 Σ− states of the AlN radical. The transition dipole moments between them …