Evolution of polycyclic aromatic hydrocarbons in photodissociation regions-Hydrogenation and charge states
J Montillaud, C Joblin, D Toublanc - Astronomy & Astrophysics, 2013 - aanda.org
Context. Various studies have emphasised variations in the charge state and composition of
the interstellar polycyclic aromatic hydrocarbon (PAH) population in photodissociation …
the interstellar polycyclic aromatic hydrocarbon (PAH) population in photodissociation …
Polycyclic aromatic hydrocarbon molecules and the 2175Å interstellar extinction bump
The exact nature of the 2175 extinction bump, the strongest spectroscopic absorption feature
superimposed on the interstellar extinction curve, remains unknown ever since its discovery …
superimposed on the interstellar extinction curve, remains unknown ever since its discovery …
Hydrogenation and dehydrogenation of interstellar PAHs: Spectral characteristics and H2 formation
Context. We have modelled the abundance distribution and IR emission of the first 3
members of the coronene family in the north-west photodissociation region of the well …
members of the coronene family in the north-west photodissociation region of the well …
VUV photo-processing of PAH cations: quantitative study on the ionization versus fragmentation processes
Interstellar polycyclic aromatic hydrocarbons (PAHs) are strongly affected by the absorption
of vacuum ultraviolet (VUV) photons in the interstellar medium (ISM), yet the branching ratio …
of vacuum ultraviolet (VUV) photons in the interstellar medium (ISM), yet the branching ratio …
Electronic spectroscopy of medium-sized polycyclic aromatic hydrocarbons: implications for the carriers of the 2175 Å UV bump
Mixtures of polycyclic aromatic hydrocarbons (PAHs) have been produced by means of laser
pyrolysis. The main fraction of the extracted PAHs was primarily medium-sized, up to a …
pyrolysis. The main fraction of the extracted PAHs was primarily medium-sized, up to a …
Fragmentation of the PAH cations of Isoviolanthrene and Dicoronylene: A case made for interstellar cyclo [n] carbons as products of universal fragmentation processes
The photo-induced fragmentation pathways of the cationic forms of isoviolanthrene (C 34 H
18) and dicoronylene (C 48 H 20) are systematically studied with mass spectrometry …
18) and dicoronylene (C 48 H 20) are systematically studied with mass spectrometry …
Laboratory photo-chemistry of PAHs: ionization versus fragmentation
J Zhen, P Castellanos, DM Paardekooper… - The Astrophysical …, 2015 - iopscience.iop.org
Interstellar polycyclic aromatic hydrocarbons (PAHs) are expected to be strongly processed
by vacuum ultraviolet photons. Here, we report experimental studies on the ionization and …
by vacuum ultraviolet photons. Here, we report experimental studies on the ionization and …
Real-space density functional theory on graphical processing units: Computational approach and comparison to Gaussian basis set methods
X Andrade, A Aspuru-Guzik - Journal of chemical theory and …, 2013 - ACS Publications
We discuss the application of graphical processing units (GPUs) to accelerate real-space
density functional theory (DFT) calculations. To make our implementation efficient, we have …
density functional theory (DFT) calculations. To make our implementation efficient, we have …
Quantum modeling of the optical spectra of carbon cluster structural families and relation to the interstellar extinction UV bump
C Dubosq, F Calvo, M Rapacioli, E Dartois… - Astronomy & …, 2020 - aanda.org
Context. The UV bump observed in the interstellar medium extinction curve of galaxies has
been assigned to π→ π⋆ transitions within the sp 2 conjugated network of carbon grains …
been assigned to π→ π⋆ transitions within the sp 2 conjugated network of carbon grains …
Laboratory hydrogenation of the photo-fragments of PAH cations: Co-evolution interstellar chemistry
C Zhang, X Hu, Y Ge, Z Dong, Y Yang, J Liu… - Astronomy & …, 2023 - aanda.org
To investigate co-evolution interstellar chemistry, we studied the gas-phase hydrogenation
processes of possible photo-fragments of large polycyclic aromatic hydrocarbon (PAH) …
processes of possible photo-fragments of large polycyclic aromatic hydrocarbon (PAH) …