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Out-of-plane deformability of aromatic systems in naphthalene, anthracene and phenanthrene

✍ Scribed by Marina V. Zhigalko; Oleg V. Shishkin; Leonid Gorb; Jerzy Leszczynski


Book ID
104059919
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
129 KB
Volume
693
Category
Article
ISSN
0022-2860

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Ab initio theoretical study of the elect
✍ C. Niederalt; S. Grimme; S.D. Peyerimhoff πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 586 KB

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