Polycyclic aromatic hydrocarbons (PAHs) are mostly formed during the incomplete
combustion of organic materials, but their importance and presence in materials science …

Large polycyclic aromatic hydrocarbon (PAH) molecules carry the infrared (IR) emission
features that dominate the spectra of most galactic and extragalactic sources. This review …

Polycyclic aromatic hydrocarbons and polycyclic aromatic nitrogen heterocycles are thought
to be widespread throughout the universe, because these classes of molecules are probably …

Astrochemistry lies at the nexus of astronomy, chemistry, and molecular physics. On the
basis of precise laboratory data, a rich collection of more than 200 familiar and exotic …

Accurate geometries of small semirigid molecules in the gas phase are available thanks to
high-resolution spectroscopy and accurate quantum chemical approaches. These results …

A new approach to computation at affordable cost of accurate geometrical structures and
rotational constants for medium-sized molecules in the gas phase is further improved and …

We report the discovery in TMC-1 of two cyano derivatives of the PAH acenaphthylene (C 12
H 8). We have found two series of lines with the QUIJOTE line survey that we assign to 1-C …

Polycyclic aromatic hydrocarbons (PAHs) and polycyclic aromatic nitrogen heterocycles
(PANHs) are important and ubiquitous species in space. However, their accurate structural …

An effective yet reliable computational workflow is proposed, which permits the computation
of accurate geometrical structures for large flexible molecules at an affordable cost thanks to …

The recent astronomical detection of benzonitrile (C6H5CN) in the cold, starless cloud TMC-
1 demonstrates that aromatic chemistry is efficient even in the primordial stages of star and …