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Theoretical study on the core-excited states of the allyl using multi-reference methods with core–valence separation (CVS) approximation
Qi Song, Junfeng Wu, Wenli Zou, Yibo Lei and Bingbing Suo The Journal of Chemical Physics 162(15) (2025) https://doi.org/10.1063/5.0258546
Non-adiabatic electronic relaxation of tetracene from its brightest singlet excited state
A. Scognamiglio, K. S. Thalmann, S. Hartweg, N. Rendler, L. Bruder, P. B. Coto, M. Thoss and F. Stienkemeier The Journal of Chemical Physics 161(2) (2024) https://doi.org/10.1063/5.0214006
Photoionization of Nitrile-substituted Naphthalene and Benzene: Cation Spectroscopy, Photostability, and Implications for Photoelectric Gas Heating
Madhusree Roy Chowdhury, Gustavo A. Garcia, Helgi R. Hrodmarsson, Jean-Christophe Loison and Laurent Nahon The Astrophysical Journal 963(1) 29 (2024) https://doi.org/10.3847/1538-4357/ad16d9
Distinguishing the XUV-induced Coulomb explosion dynamics of iodobenzene using covariance analysis
Tiffany Walmsley, Felix Allum, James R Harries, Yoshiaki Kumagai, Suzanne Lim, Joseph McManus, Kiyonobu Nagaya, Mathew Britton, Mark Brouard, Philip Bucksbaum, Mizuho Fushitani, Ian Gabalski, Tatsuo Gejo, Paul Hockett, Andrew J Howard, Hiroshi Iwayama, Edwin Kukk, Chow-shing Lam, Russell S Minns, Akinobu Niozu, Sekito Nishimuro, Johannes Niskanen, Shigeki Owada, Weronika O Razmus, Daniel Rolles, et al. Journal of Physics B: Atomic, Molecular and Optical Physics 57(23) 235101 (2024) https://doi.org/10.1088/1361-6455/ad8799
Uptake of Molecules by Polyaromatic Hydrocarbon Nanoparticles
Cyanocyclopentadiene-Annulated Polycyclic Aromatic Radical Anions: Predicted Negative Ion Photoelectron Spectra and Singlet–Triplet Energies of Cyanoindene and Cyanofluorene Radical Anions
Dushmantha N. Koku Hannadige Abeysooriya, Nolan J. White, Kie T. Workman, Jonathan A. Dupuy and Wilson K. Gichuhi The Journal of Physical Chemistry A 128(10) 1837 (2024) https://doi.org/10.1021/acs.jpca.3c08312
Polycyclic aromatic hydrocarbons in exoplanet atmospheres
New potential candidates for astronomical searches discovered in the electrical discharge of the PAH naphthalene and acetonitrile
Donatella Loru, Amanda L. Steber, Johannes M.M. Thunnissen, Daniël B. Rap, Alexander K. Lemmens, Anouk M. Rijs and Melanie Schnell Journal of Molecular Spectroscopy 386 111629 (2022) https://doi.org/10.1016/j.jms.2022.111629
Polycyclic aromatic hydrocarbons in carbonaceous chondrites can be used as tracers of both pre-accretion and secondary processes
Marceau Lecasble, Laurent Remusat, Jean-Christophe Viennet, Boris Laurent and Sylvain Bernard Geochimica et Cosmochimica Acta (2022) https://doi.org/10.1016/j.gca.2022.08.039
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
Time-resolved relaxation and fragmentation of polycyclic aromatic hydrocarbons investigated in the ultrafast XUV-IR regime
Autodetachment dynamics of 2-naphthoxide and implications for astrophysical anion abundance
Eleanor K. Ashworth, Cate S. Anstöter, Jan R. R. Verlet and James N. Bull Physical Chemistry Chemical Physics 23(10) 5817 (2021) https://doi.org/10.1039/D1CP00261A
Product Detection of the CH(X2Π) Radical Reaction with Cyclopentadiene: A Novel Route to Benzene
Kacee L. Caster, Talitha M. Selby, David L. Osborn, Sebastien D. Le Picard and Fabien Goulay The Journal of Physical Chemistry A 125(32) 6927 (2021) https://doi.org/10.1021/acs.jpca.1c03517
What Will Photo-Processing of Large, Ionized Amino-Substituted Polycyclic Aromatic Hydrocarbons Produce in the Interstellar Medium?
The influence of coronene super-hydrogenation on the coronene-graphite interaction
Anders W. Skov, Mie Andersen, John D. Thrower, Bjarke Jørgensen, Bjørk Hammer and Liv Hornekær The Journal of Chemical Physics 145(17) (2016) https://doi.org/10.1063/1.4966259
A search for hydrogenated fullerenes in fullerene-containing planetary nebulae
Formation of Aromatic Structures from Chain Hydrocarbons in Electrical Discharges: Absorption and Fluorescence Study of C11H9+ and C11H9• Isomers in Neon Matrices
Adam Nagy, Jan Fulara and John P. Maier Journal of the American Chemical Society 133(49) 19796 (2011) https://doi.org/10.1021/ja206522s
Coupled blind signal separation and spectroscopic database fitting of the mid infrared PAH features