Ab initio calculations for the excited states of the positive ions of naphthalene, anthracene and phenanthrene have been carried out to elucidate their absorption spectra in the UV-VIS range (200-1000 nm). With restricted open-shel! Hartree-Fock one-particle basis functions employing double-~" or tr
β¦ LIBER β¦
Ab Initio and DFT Study of the Formation Mechanisms of Polycyclic Aromatic Hydrocarbons: The Phenanthrene Synthesis from Biphenyl and Naphthalene
β Scribed by Kislov, V. V.; Mebel, A. M.; Lin, S. H.
- Book ID
- 127303261
- Publisher
- American Chemical Society
- Year
- 2002
- Tongue
- English
- Weight
- 141 KB
- Volume
- 106
- Category
- Article
- ISSN
- 1089-5639
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