Related papers: Rotational equilibrium of C$_2$ in diffuse interst…
We apply photo-dissociation region (PDR) molecular line emission models, that have varying degrees of enhanced mechanical heating rates, to the gaseous component of simulations of star-forming galaxies taken from the literature. Snapshots…
We present quantum dynamical calculations that describe the rotational excitation of H$_2$O due to collisions with H atoms. We used a recent, high accuracy potential energy surface, and solved the collisional dynamics with the…
We have constructed three-dimensional models for the equilibrium abundance of molecular hydrogen within diffuse interstellar clouds of arbitrary geometry that are illuminated by ultraviolet radiation. The position-dependent photo-…
We analyze the collisional excitation of the 158 micron (1900.5 GHz) fine structure transition of ionized carbon (C+) in terms of line intensities produced by simple cloud models. The single C+ fine structure transition is a very important…
Aims: Our aims are threefold: a) To compare the $uv$ and mm-wave results; b) to interpret 13CO and 12CO abundances in terms of the physical processes which separately and jointly determine them; c) to interpret observed J=1-0 rotational…
Emission from high-dipole moment molecules such as HCN allows determination of the density in molecular clouds, and is often considered to trace the "dense" gas available for star formation. We assess the importance of electron excitation…
We present a novel framework to self-consistently model the effects of radiation fields, dust physics and molecular chemistry (H$_2$) in the interstellar medium (ISM) of galaxies. The model combines a state-of-the-art radiation…
Observations of chemical species can provide an insight into the physical conditions of the emitting gas but it is important to understand how their abundances and excitation vary within different heating environments. C$_2$H is a molecule…
We present results from high-resolution three-dimensional simulations of the turbulent interstellar medium that study the influence of the nature of the turbulence on the formation of molecular hydrogen. We have examined both solenoidal…
We construct a fast, transferable, general purpose, machine-learning interatomic potential suitable for large-scale simulations of $N_2$. The potential is trained only on high quality quantum chemical molecule-molecule interactions, no…
Our main purpose is to estimate the effect of assuming uniform density on the line-of-sight in PDR chemistry models, compared to a more realistic distribution for which total gas densities may well vary by several orders of magnitude. A…
To provide constraints on the chemical processes responsible for the observed columns of organic species, we used NOEMA to observe the sight line toward NRAO150 in the 2mm spectral window. We targeted the low excitation lines of o-H2CO…
Collisional excitation rate coefficients play an important role in the dynamics of energy transfer in the interstellar medium. In particular, accurate rotational excitation rates are needed to interpret microwave and infrared observations…
Context. A statistically significant sampling of H2 rotational excitation in the diffuse interstellar medium (ISM) is essential to identifying its excitation mechanisms and assessing the importance of H2 in the cooling of the gas and the…
Using state-of-the-art ab initio interaction-induced dipole and potential-energy surfaces for hydrogen-helium (H2-He) pairs, we compute the rototranslational collision-induced absorption coefficient at 40-400 K for frequencies covering…
Rotational transitions in molecular hydrogen collisions are computed. The two most recently developed potential energy surfaces for the H2-H2 system are used from the following works: 1) A.I. Boothroyd, P.G. Martin, W.J. Keogh, M.J.…
Methanol is an abundant molecule in space. The column density of CH$_3^{18}$OH is in some star-forming regions so high that the search for CH$_3^{17}$OH is promising. But only very few transition frequencies of CH$_3^{17}$OH with a…
The rotational spectrum of the higher-energy trans conformational isomer of methyl formate has been assigned for the first time using several pulsed-jet Fourier transform microwave spectrometers in the 6-60 GHz frequency range. This species…
The first set of theoretical cross sections for propylene oxide (CH3CHCH2O) colliding with cold He atoms has been obtained at the full quantum level using a high-accuracy potential energy surface. By scaling the collision reduced mass,…
This perspective offers a viewpoint on how the challenges of molecular scattering investigations of astrophysical interest have evolved in recent years. Computational progress has steadily expanded collisional databases and provided…