Despite the generally hostile nature of the environments involved, chemistry does occur in
space. Molecules are seen in environments that span a wide range of physical and chemical …

Conspectus Polycyclic aromatic hydrocarbon molecules (PAHs) are ubiquitously present at
high abundances in the Universe. They are detected through their infrared (IR) fluorescence …

Dust grains absorb half of the radiation emitted by stars throughout the history of the
universe, re-emitting this energy at infrared wavelengths,–. Polycyclic aromatic …

The characteristics of the CH stretching and out-of-plane bending modes in polycyclic
aromatic hydrocarbon molecules are investigated using anharmonic density functional …

We present a large sample of 2.5–38 μm galaxy spectra drawn from a cross-archival
comparison in the AKARI–Spitzer Extragalactic Spectral Survey, and investigate a subset of …

Context. Mid-infrared observations of photodissociation regions (PDRs) are dominated by
strong emission features called aromatic infrared bands (AIBs). The most prominent AIBs are …

Gas-phase, double resonance IR spectroscopy has proven to be an excellent approach to
obtain structural information on peptides ranging from single amino acids to large peptides …

Utilizing the data and tools provided through the NASA Ames PAH IR Spectroscopic
Database (PAHdb), we study the PAH component of over 900 Spitzer-IRS galaxy spectra …

Anharmonic cascade emission simulations, herein evinced by full reproduction and deep
insights into recent emission spectroscopy experiments of phenylacetylene, are integral to …

Quantum chemistry can uniquely answer astrochemical questions that no other technique
can provide. Computations can be parallelized, automated, and left to run continuously …