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

@article{Chen2019FragmentationAI,
  title={Fragmentation and isomerization of polycyclic aromatic hydrocarbons in the interstellar medium: coronene as a case study},
  author={T. Chen and Yi Luo and A. Li},
  journal={arXiv: Astrophysics of Galaxies},
  year={2019}
}
Aims. Due to the limitations of current computational technology, the fragmentation and isomerization products of vibrationally-excited polycyclic aromatic hydrocarbon (PAH) molecules and their derivatives are poorly studied. In this work, we investigate the intermediate products of PAHs and their derivatives as well as the gas-phase reactions relevant to the interstellar medium, with coronene as a case study. Methods. Based on the semi-empirical method of PM3 as implemented in the CP2K… Expand

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