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Cited article:

Probing computational methodologies in predicting mid-infrared spectra for large polycyclic aromatic hydrocarbons

B Kerkeni, I García-Bernete, D Rigopoulou, et al.
Monthly Notices of the Royal Astronomical Society 513 (3) 3663 (2022)
https://doi.org/10.1093/mnras/stac976

Reparameterized semi-empirical methods for computing anharmonic vibrational frequencies of multiply-bonded hydrocarbons

Brent R Westbrook, Joshua P Layfield, Timothy J Lee and Ryan C Fortenberry
Electronic Structure 4 (4) 045003 (2022)
https://doi.org/10.1088/2516-1075/aca458

Virtual vibrational spectrometer for sp2 carbon clusters. 1. Polycyclic benzenoid-fused hydrocarbons

E. F. Sheka, N. A. Popova and V. A. Popova
Fullerenes, Nanotubes and Carbon Nanostructures 29 (9) 703 (2021)
https://doi.org/10.1080/1536383X.2021.1882429

A density functional theory study on the carbon defect in a graphene nano-flake surface promoting hydrogenation

Hiroshi Kawabata and Hiroto Tachikawa
Japanese Journal of Applied Physics 59 (2) 025508 (2020)
https://doi.org/10.35848/1347-4065/ab6be3

Fragmentation and isomerization of polycyclic aromatic hydrocarbons in the interstellar medium: Coronene as a case study

Tao Chen, Yi Luo and Aigen Li
Astronomy & Astrophysics 633 A103 (2020)
https://doi.org/10.1051/0004-6361/201936873

Formation of polyynes and ring-polyyne molecules following fragmentation of polycyclic aromatic hydrocarbons

Tao Chen and Yi Luo
Monthly Notices of the Royal Astronomical Society 486 (2) 1875 (2019)
https://doi.org/10.1093/mnras/stz1014