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Behaviours of hydrogen, such as fluidity and metallicity, are crucial for our understanding of planetary interiors and the emerging field of high-temperature superconducting hydrides. These behaviours were discovered in complex phase…
We present a new method to accurately describe the ionization fraction and the size distribution of polycyclic aromatic hydrocarbons (PAHs) within astrophysical sources. To this purpose, we have computed the mid-infrared emission spectra of…
We report new correlations between ratios of band intensities of the 15-20 {\mu}m emission bands of polycyclic aromatic hydrocarbons (PAHs) in a sample of fifty-seven sources observed with Spitzer/IRS. This sample includes Large Magellanic…
The surface processes on interstellar dust grains have an important role in the chemical evolution in molecular clouds. Hydrogenation reactions on ice surfaces have been extensively investigated and are known to proceed at low temperatures…
Here we demonstrate that significant progress in this area may be achieved by introducing structural elements that form hydrogen bonds with environment. Considering several examples of hybrid framework materials with different structural…
Superhydrogenated polycyclic aromatic hydrocarbons (PAHs) may be present in H-rich and ultraviolet-poor benign regions. The addition of excess H atoms to PAHs converts the aromatic bonds into aliphatic bonds, the strongest of which falls…
Band gap energy of an organic molecule can be reduced by intermolecular interaction enhancement, and thus, certain polycyclic aromatic hydrocarbons (PAHs), which are insulators with wide band gaps, are expected to undergo insulator-metal…
Context: The abundance of key molecules determines the level of cooling that is necessary for the formation of stars and planetary systems. In this context, one needs to understand the details of the time dependent oxygen chemistry, leading…
Polycyclic aromatic hydrocarbons (PAHs) are widespread in the interstellar medium (ISM) of Solar metallicity galaxies, where they play a critical role in ISM heating, cooling, and reprocessing stellar radiation. The PAH fraction, the…
This study theoretically predicts the specific Polycyclic Aromatic Hydrocarbon (PAH) molecules to reproduce both astronomically observed Infrared Bands (IR) and Diffuse Interstellar Bands (DIB). In our recent paper, we could reproduce IR by…
Molecular hydrogen (H$_2$) is by far the most abundant molecule in the Universe. However, due to the low emissivity of H$_2$, carbon monoxide (CO) is widely used instead to trace molecular gas in galaxies. The relative abundances of these…
When placed in parallel magnetic and electric fields, the electron trajectories of a classical hydrogen atom are chaotic. The classical escape rate of such a system can be computed with classical trajectory Monte Carlo techniques, but these…
The integrated luminosity from the features of the polycyclic aromatic hydrocarbons (PAHs) exceeds the luminosity from atomic and molecular emission lines in the star-forming regions in galaxies and is a potential tracer of galaxy-scale…
An effective Hamiltonian is considered for hydrogen bonding between two molecules due to the quantum mechanical interaction between the orbitals of the H-atom and the donor and acceptor atoms in the molecules. The Hamiltonian acts on two…
Radical recombination has been proposed to lead to the formation of complex organic molecules (COMs) in CO-rich ices in the early stages of star formation. These COMs can then undergo hydrogen addition and abstraction reactions leading to a…
Astronomical mid-IR spectra show two minor PAH features at 5.25 and 5.7 $\mu$m (1905 and 1754 cm$^{\rm - 1}$) that hitherto have been little studied, but contain information about the astronomical PAH population that complements that of the…
The reactions of carbon atoms with dihydrogen have been investigated in liquid helium droplets at $T$ = 0.37 K. A calorimetric technique was applied to monitor the energy released in the reaction. The barrierless reaction between a single…
Combining Atacama Large Millimeter/sub-millimeter Array CO(2-1) mapping and JWST near- and mid-infrared imaging, we characterize the relationship between CO(2-1) and polycyclic aromatic hydrocarbon (PAH) emission at ~100 pc resolution in 70…
Using density-functional theory and a tight-binding approach we investigate the physical origin of distinct favourable geometries of adsorbed hydrogen atoms in various graphyne structures, and the relation with electronic properties. In…
The presence, distribution and kinematics of atomic neutral hydrogen in the central regions of galaxies can be traced by the HI 21~cm line observed in absorption. Depending only on the strength of the radio continuum, the associated…