相关论文: The sequence to hydrogenate coronene cations: A jo…

The electronic and optical properties of various polycyclic aromatic hydrocarbons (PAHs) with lower symmetry, namely, benzo[ghi]perylene (C$_{22}$H$_{12}$), benzo[a]coronene (C$_{28}$H$_{14}$), naphtho[2,3a]coronene (C$_{32}$H$_{16}$),…

We present an analysis of optical spectroscopy and infrared aperture photometry of more than 100 H II complexes in nine galaxies. Spectra obtained with the 6-m telescope of SAO RAS are used along with archival data from Spitzer and several…

Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-principles electronic structure means, employing plane-wave based, periodic density functional theory. A reasonably large 5x5 surface unit…

Hydrogen atom tunneling likely plays a substantial role in the gas-phase chemistry of astrochemical environments. To determine the potential effect that it has on the chemical modeling of aromatic molecules, we screened the kida.uva.2024…

In our recent papers (Kereslidze et all 2019a, 2021) a non-standard quasi-molecular mechanism was suggested and applied to treat the cosmological recombination. It was assumed that in the pre-recombination stage of evolution of the Universe…

The dependences on z of fractional number densities of H+ and He+ ions are calculated with a proper allowance for two-photon decays of upper levels of hydrogen and parahelium and radiative transfer in intercombination line 2 3P_1 --> 1 1S_0…

The radiation hydrodynamic code CO5BOLD has been supplemented with the time-dependent treatment of chemical reaction networks. Advection of particle densities due to the hydrodynamic flow field is also included. The radiative transfer is…

Polycyclic aromatic hydrocarbons (PAHs) have been detected in numerous circumstellar discs. We propose the continuous processing of PAHs through clustering, adsorption on dust grains, and their reverse-processes as key mechanisms to reduce…

We have studied the fundamental process of hydrogen binding at interstitial, vacancy and grain boundary (GB) in palladium crystals using Density-Functional Theory. It showed that hydrogen prefers to occupy the octahedral interstitial site…

Carbonates are the main species that bring carbon deep into our planet through subduction. They are an important rock-forming mineral group, fundamentally distinct from silicates in Earth's crust in that carbon binds to three oxygen atoms,…

We have carried out a systematic search for the molecular ion CO+ in a sample of 8 protoplanetary and planetary nebulae in order to determine the origin of the unexpectedly strong HCO+ emission previously detected in these sources. An…

We present materials informatics approach to search for superconducting hydrogen compounds, which is based on a genetic algorithm and a genetic programming. This method consists of four stages: (i) search for stable crystal structures of…

The mid-infrared (IR; 5-15~$\mu$m) spectrum of a wide variety of astronomical objects exhibits a set of broad emission features at 6.2, 7.7, 8.6, 11.3 and 12.7 $\mu$m. About 30 years ago it was proposed that these signatures are due to…

Aims. We present a new sub-grid model, HYACINTH -- HYdrogen And Carbon chemistry in the INTerstellar medium in Hydro simulations -- for computing the non-equilibrium abundances of ${\rm H_2}$ and its carbon-based tracers, namely ${\rm CO}$,…

Polycyclic aromatic hydrocarbons (PAHs) appear to be ubiquitous in terrestrial atmosphere as well as in the interstellar medium (ISM). In the astrophysical context presence of PAHs is interpreted by the observations of mid-IR emission bands…

The pre-transitional disk around the Herbig Ae star HD 169142 shows a complex structure of possible ongoing planet formation in dust thermal emission from the near infrared (IR) to millimeter wavelength range. Also, a distinct set of broad…

[Abridged] The ionization of polycyclic aromatic hydrocarbons (PAHs), by ultraviolet (UV) photons from massive stars is expected to account for a large fraction of the heating of neutral gas in galaxies. Evaluation of this proposal,…

We predict the stability of a new extended two-dimensional hydrocarbon on the basis of first-principles total energy calculations. The compound that we call graphane is a fully saturated hydrocarbon derived from a single graphene sheet with…

The CO+ reactive ion is thought to be a tracer of the boundary between a HII region and the hot molecular gas. In this study, we present the spatial distribution of the CO+ rotational emission toward the Mon R2 star-forming region. The CO+…

Mixtures of polycylic aromatic hydrocarbons (PAHs) have been produced by means of laser pyrolysis. The main fraction of the extracted PAHs were primarily medium-sized, up to a maximum size of 38 carbon atoms per molecule. The use of…