Prebiotic astrochemistry and the formation of molecules of astrobiological interest in interstellar clouds and protostellar disks
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 …
space. Molecules are seen in environments that span a wide range of physical and chemical …
A spectroscopic view on cosmic PAH emission
Conspectus Polycyclic aromatic hydrocarbon molecules (PAHs) are ubiquitously present at
high abundances in the Universe. They are detected through their infrared (IR) fluorescence …
high abundances in the Universe. They are detected through their infrared (IR) fluorescence …
The NASA Ames PAH IR spectroscopic database: The laboratory spectra
AL Mattioda, DM Hudgins, C Boersma… - The Astrophysical …, 2020 - iopscience.iop.org
The astronomical emission features, formerly known as the unidentified infrared bands, are
now commonly ascribed to polycyclic aromatic hydrocarbons (PAHs). The laboratory …
now commonly ascribed to polycyclic aromatic hydrocarbons (PAHs). The laboratory …
Predicting infrared spectra with message passing neural networks
Infrared (IR) spectroscopy remains an important tool for chemical characterization and
identification. Chemprop-IR has been developed as a software package for the prediction of …
identification. Chemprop-IR has been developed as a software package for the prediction of …
Anharmonicity and the IR emission spectrum of neutral interstellar PAH molecules
The characteristics of the CH stretching and out-of-plane bending modes in polycyclic
aromatic hydrocarbon molecules are investigated using anharmonic density functional …
aromatic hydrocarbon molecules are investigated using anharmonic density functional …
JWST: Deuterated PAHs, PAH nitriles, and PAH overtone and combination bands. I. Program description and first look
C Boersma, LJ Allamandola, VJ Esposito… - The Astrophysical …, 2023 - iopscience.iop.org
A first look is taken at the NIRSpec 1–5 μm observations from James Webb Space
Telescope program 1591 that targets seven objects along the low-mass stellar life cycle with …
Telescope program 1591 that targets seven objects along the low-mass stellar life cycle with …
Probing the size and charge of polycyclic aromatic hydrocarbons
A Maragkoudakis, E Peeters… - Monthly Notices of the …, 2020 - academic.oup.com
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 …
distribution of polycyclic aromatic hydrocarbons (PAHs) within astrophysical sources. To this …
Linking Characteristics of the Polycyclic Aromatic Hydrocarbon Population with Galaxy Properties: A Quantitative Approach Using the NASA Ames PAH IR …
A Maragkoudakis, C Boersma, P Temi… - The Astrophysical …, 2022 - iopscience.iop.org
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 …
Database (PAHdb), we study the PAH component of over 900 Spitzer-IRS galaxy spectra …
Anharmonicity and deuteration in the IR absorption and emission spectrum of phenylacetylene
Anharmonic cascade emission simulations, herein evinced by full reproduction and deep
insights into recent emission spectroscopy experiments of phenylacetylene, are integral to …
insights into recent emission spectroscopy experiments of phenylacetylene, are integral to …
Quantum Chemistry and Astrochemistry: A Match Made in the Heavens
RC Fortenberry - The Journal of Physical Chemistry A, 2024 - ACS Publications
Quantum chemistry can uniquely answer astrochemical questions that no other technique
can provide. Computations can be parallelized, automated, and left to run continuously …
can provide. Computations can be parallelized, automated, and left to run continuously …