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

Linear transformation of anharmonic molecular force constants between normal and Cartesian coordinates

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

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

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

Infrared vibrational and electronic transitions in the dibenzopolyacene family

(2014) Andrew L. Mattioda et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

High-Quality Large-Area Graphene from Dehydrogenated Polycyclic Aromatic Hydrocarbons

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A second-order perturbation theory route to vibrational averages and transition properties of molecules: General formulation and application to infrared and vibrational circular dichroism spectroscopies

(2012) Julien Bloino et al.   JOURNAL OF CHEMICAL PHYSICS

Spatial distribution and interpretation of the 3.3 μm PAH emission band of the Red Rectangle

(2012) A. Candian et al.   MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

High-Resolution Spectroscopy of Jet-Cooled 1,1′-Diphenylethylene: Electronically Excited and Ionic States of a Prototypical Cross-Conjugated System

(2011) Szymon Smolarek et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the Nature of Interlayer Interactions in a System of Two Graphene Fragments

(2011) Julia Berashevich et al.   Journal of Physical Chemistry C

Fityk: a general-purpose peak fitting program

(2010) Marcin Wojdyr   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Gabedit-A graphical user interface for computational chemistry softwares

(2010) Abdul-Rahman Allouche   JOURNAL OF COMPUTATIONAL CHEMISTRY

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