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Dissociation and multiple ionization energies for five polycyclic aromatic hydrocarbon molecules

✍ Scribed by Holm, A. I. S.; Johansson, H. A. B.; Cederquist, H.; Zettergren, H.


Book ID
120403916
Publisher
American Institute of Physics
Year
2011
Tongue
English
Weight
862 KB
Volume
134
Category
Article
ISSN
0021-9606

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CH Bond Dissociation Energies of Polycyc
✍ Fujiwara, Kenji; Harada, Akinori; Aihara, Jun-ichi πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 487 KB πŸ‘ 2 views

PM3 molecular orbital calculations were carried out to estimate CH bond dissociation energies of 13 polycyclic aromatic hydrocarbon (PAH) molecular cations. The dissociation energy of a CH bond turned out to be almost independent of the size of the molecular cation and the environment in the cation.