Anharmonic IR absorption spectra of the prototypical interstellar PAHs phenanthrene, pyrene, and pentacene in their neutral and cation states

Anharmonicity and the IR Emission Spectrum of Neutral Interstellar PAH Molecules

(2022) Cameron J. Mackie et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Anharmonic infrared spectra of thermally excited pyrene (C16H10): A combined view of DFT-based GVPT2 with AnharmonicCaOs, and approximate DFT molecular dynamics with demonNano

(2021) Shubhadip Chakraborty et al.   JOURNAL OF MOLECULAR SPECTROSCOPY

Modeling the infrared cascade spectra of small PAHs: the 11.2 μm band

(2021) Cameron J. Mackie et al.   THEORETICAL CHEMISTRY ACCOUNTS

Spitzer’s perspective of polycyclic aromatic hydrocarbons in galaxies

(2020) Aigen Li   Nature Astronomy

The infrared bands of polycyclic aromatic hydrocarbons in the 1.6–1.7 μm wavelength region

(2019) Tao Chen et al.   ASTRONOMY & ASTROPHYSICS

The anharmonic quartic force field infrared spectra of hydrogenated and methylated PAHs

(2018) Cameron J. Mackie et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Anharmonicity and the IR emission spectrum of highly excited polycyclic aromatic hydrocarbons

(2018) Tao Chen et al.   ASTRONOMY & ASTROPHYSICS

Anharmonic vibrational spectroscopy of polycyclic aromatic hydrocarbons (PAHs)

(2018) Giacomo Mulas et al.   JOURNAL OF CHEMICAL PHYSICS

Fully anharmonic infrared cascade spectra of polycyclic aromatic hydrocarbons

(2018) Cameron J. Mackie et al.   JOURNAL OF CHEMICAL PHYSICS

The anharmonic quartic force field infrared spectra of five non-linear polycyclic aromatic hydrocarbons: Benz[a]anthracene, chrysene, phenanthrene, pyrene, and triphenylene

(2016) Cameron J. Mackie et al.   JOURNAL OF CHEMICAL PHYSICS

H2formation on PAHs in photodissociation regions: a high-temperature pathway to molecular hydrogen

(2015) L. Boschman et al.   ASTRONOMY & ASTROPHYSICS

The anharmonic quartic force field infrared spectra of three polycyclic aromatic hydrocarbons: Naphthalene, anthracene, and tetracene

(2015) Cameron J. Mackie et al.   JOURNAL OF CHEMICAL PHYSICS

H2formation on PAHs in photodissociation regions: a high-temperature pathway to molecular hydrogen

(2015) L. Boschman et al.   ASTRONOMY & ASTROPHYSICS

THE NASA AMES PAH IR SPECTROSCOPIC DATABASE VERSION 2.00: UPDATED CONTENT, WEB SITE, AND ON(OFF)LINE TOOLS

(2014) C. Boersma et al.   ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES

EXPERIMENTAL EVIDENCE FOR THE FORMATION OF HIGHLY SUPERHYDROGENATED POLYCYCLIC AROMATIC HYDROCARBONS THROUGH H ATOM ADDITION AND THEIR CATALYTIC ROLE IN H2FORMATION

(2012) J. D. Thrower et al.   ASTROPHYSICAL JOURNAL

THE NASA AMES POLYCYCLIC AROMATIC HYDROCARBON INFRARED SPECTROSCOPIC DATABASE: THE COMPUTED SPECTRA

(2010) C. W. Bauschlicher et al.   ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES

ERRATUM: “THE 5.25 AND 5.7 μm ASTRONOMICAL POLYCYCLIC AROMATIC HYDROCARBON EMISSION FEATURES” (2009, ApJ, 690, 1208)

(2009) C. Boersma et al.   ASTROPHYSICAL JOURNAL

THE INFRARED SPECTRA OF VERY LARGE IRREGULAR POLYCYCLIC AROMATIC HYDROCARBONS (PAHs): OBSERVATIONAL PROBES OF ASTRONOMICAL PAH GEOMETRY, SIZE, AND CHARGE

(2009) Charles W. Bauschlicher et al.   ASTROPHYSICAL JOURNAL

Interstellar Polycyclic Aromatic Hydrocarbon Molecules

(2008) A.G.G.M. Tielens   Annual Review of Astronomy and Astrophysics

THE 5.25 AND 5.7 μm ASTRONOMICAL POLYCYCLIC AROMATIC HYDROCARBON EMISSION FEATURES

(2008) C. Boersma et al.   ASTROPHYSICAL JOURNAL

Development and Validation of the B3LYP/N07D Computational Model for Structural Parameter and Magnetic Tensors of Large Free Radicals

(2008) Vincenzo Barone et al.   Journal of Chemical Theory and Computation