Related papers: Comparative study of Rare Gas-H$_2$ triatomic comp…
Recently, the rhombohedral trilayer graphene (r-TLG) has attracted much attention because of its low-energy flat bands, which are predicted to result in many strongly correlated phenomena. Here, we demonstrate that it is possible to probe…
The evaluation of collective modes is fundamental in the analysis of molecular dynamics simulations. Several methods are available to extract that information, i.e normal mode analysis, principal component and spectral analysis of…
We present a study of vibrational quenching and chemical processes of molecular ions immersed in an ultracold atomic gas by means of the quasi-classical trajectory (QCT) method. In particular, BaRb$^+(v)$ + Rb collisions are studied at cold…
Hydration properties of graphene oxide (GO) are essential for most of its potential applications. In this work, we employ atomistic molecular dynamics simulations to investigate seven GO compositions with different levels of oxygenation.…
Recently there has been considerable interest in the subject of molecules, which are weakly bound states of hadron pairs. The question of the existence of molecules is closely related to the more general problem of the determination of low…
A close coupling quantum-mechanical calculation is performed for rotational energy transfer in a HD+HD collision at very low energy, down to the ultracold temperatures: $T \sim 10^{-8}$ K. A global six-dimensional H$_2$-H$_2$ potential…
A dual-Regge model with a nonlinear proton Regge trajectory in the missing mass channel, describing the experimental data on low-mass single diffraction dissociation, is constructed. Predictions for the LHC energies are given.
An algebraic method especially suited to describe strongly anharmonic vibrational spectra in molecules may be an appropriate framework to study vibrational spectra of Na$^+_n$ clusters, where nearly flat potential energy surfaces and the…
This paper pioneers the direct numerical simulation (DNS) and physical analysis in supersonic three-temperature carbon dioxide (CO2) turbulent channel flow. CO2 is a linear and symmetric triatomic molecular, with the thermal non-equilibrium…
We report a collection of lowest-energy structures of hydrocarbon molecules C_{m}H_{n} (m=1-18; n=0-2m+2). The structures are examined within a wide hydrogen chemical potential range. The genetic algorithm combined with Brenner's empirical…
It has recently become possible to form molecules in ultracold gases of trapped alkali metal atoms. Once formed, the molecules may undergo elastic, inelastic and reactive collisions. Inelastic and reactive collisions are particularly…
We present a quantum mechanical study of the diatomic hydrogen $H(^{2}S)$ and oxygen $O(^{3}P)$ collision and energy transfer for its four molecular symmetry $(X^{2}\Pi, ^{2}\Sigma^{-}, ^{4}\Pi, ^{4}\Sigma^{-})$, which is important for the…
Exploring inelastic and reactive collisions on the quantum level is a main goal of the developing field of ultracold chemistry. We present first experimental studies of inelastic collisions of metastable ultracold triplet molecules in the…
The hydrogen molecule contains the basic ingredients to understand the chemical bond, i.e, a pair of electrons. We show a step to understand The Correspondence Principle for chaotic system in the Chemical World. The hydrogen molecule is…
Differential Faddeev equations in total angular momentum representation are used for the first time to investigate ultra-low energy elastic scattering of a helium atom on a helium dimer. Six potential models of interatomic interaction are…
We report on the differences between colloidal systems left to evolve in the earth's gravitational field and the same systems for which a slow continuous rotation averaged out the effects of particle sedimentation on a distance scale small…
We calculated electron susceptibility of rare-earth tritelluride compounds RTe$_3$ as a function of temperature, wave vector and electron-dispersion parameters. Comparison of results obtained with the available experimental data on the…
Highly accurate variational calculations, based on a few-parameter, physically adequate trial function, are carried out for the hydrogen molecule \hh in inclined configuration, where the molecular axis forms an angle $\theta$ with respect…
Qualitatively different systems of molecular energy bands are studied on example of a parametric family of effective Hamiltonians describing rotational structure of triply degenerate vibrational state of a cubic symmetry molecule. The…
We report experiments on the equipartition of kinetic energy between grains made of two different materials in a mixture of grains vibrated in 2 dimensions. In general, the two types of grains do not attain the same granular temperature, Tg…