Related papers: Metastable quasi-one-dimensional ensembles of nitr…
Results of tight-binding calculations on metastable spin-polarized carbon clusters C_8 (prismanes) are presented. It is shown that those clusters can form ensembles due to intercluster bonding. The binding energy of a given metastable…
Stability of recently predicted cage-like carbon cluster C$_8$ (prismane) against its transformations to structures lying at lower energies is studied theoretically. The smallest energy barrier inhibiting prismane transformation is shown to…
In the purpose of expanding the family of two-dimensional materials, we predict the existence of two-dimensional octa-structure of nitrogen group elements that are composed of squares and octagons in first-principle method based on density…
The possibility of the $^8$He and $^{9}$Li clusters in atomic nuclei is discussed. Until now most of the clusters in the conventional models have been limited to the closures of the three-dimensional harmonic oscillators, such as $^4$He,…
We consider bosons interacting through a narrow $s$-wave resonance. Such a resonance is characterized by an infinite scattering length and a large and negative effective range $r_0$. We argue that any number $N\ge3$ of bosons can form a…
Strongly interacting binary mixtures of superparamagnetic colloidal particles confined to a two-dimensional water-air interface are examined by theory, computer simulation and experiment. The mixture exhibits a partial clustering in…
A new type of a levitating droplet clusters composed of often transforming small aggregates of water droplets is described for the first time. Unlike earlier observed droplet clusters controlled by aerodynamic forces, which formed either an…
The Bernal-Fowler ice rules stipulate that each water molecule in an ice crystal should form four hydrogen bonds. However, in extreme or constrained conditions, the arrangement of water molecules deviates from conventional ice rules,…
We present our density functional results of the geometry, electronic structure and dissociation energy of Ti_8C_12 dimer. We show that as opposed to the currently held view that Ti_8C_12 are highly stable monodispersed clusters, the…
Abundance spectra of (CO$_2$)$_N$ clusters (up to $N \approx$ 500) acquired under a wide range of adiabatic expansion conditions are analyzed within the evaporative ensemble framework. Analysis reveals that cluster stability functions…
The pressure-induced transformation of diatomic nitrogen into non-molecular polymeric phases may produce potentially useful high-energy-density materials. We combine first-principles calculations with structure searching to predict a new…
We have combined ab initio molecular dynamics with the intrinsic reaction coordinate in order to investigate the mechanisms of stability and pyrolysis of N$_{4}$-- N$_{120}$ fullerene-like nitrogen cages. The stability of the cages was…
We explore the possibility to trap polynitrogen clusters inside C60 fullerene cage, opening a new direction of developing nitrogen-rich high energy materials. We found that a maximum of 13 nitrogen atoms can be encapsulated in a C60 cage.…
We treat three-dimensional bosonic clusters wih up to N=40 atoms, interacting additively through two-body Van der Waals potentials, in the near-threshold regime. Our study inludes super-borromean systems with N atoms for which all…
quasi-one-dimensional (1D) titania nanostructures - single-walled nanotubes formed by rolling [101] planes of TiO$_2$ (anatase phase) are modeled and their electronic properties and bond orders indices are studied using the tight-binding…
The addition of small impurities, such as a single proton charge carrier, in noble gas clusters has recently been shown to have considerable effects on their geometries and stabilities. Here we report on a mass spectrometric study of…
We show that metastable ring-shaped clusters can be constructed from two-dimensional quantum droplets in systems described by the Gross-Pitaevskii equations augmented with Lee-Huang-Yang quantum corrections. The clusters exhibit dynamical…
We discuss a simple model of particles hopping in one dimension with attractive interactions. Taking a hydrodynamic limit in which the interaction strength increases with the system size, we observe the formation of multiple clusters of…
The existence of shell structure and the accompanying high degeneracy of electronic levels leads to the possibility of strong superconducting pairing in metallic nanoclusters with N~100-1000 delocalized electrons. The most favorable cases…
Hydrogen bonds are typically treated as sufficiently localized directional intermolecular bonds, in which dispersion and electrostatic contributions can be distinguished. However, being formed chiefly due to the overlapping of p orbitals of…