It is shown that the excited singlet ($8 o --) state (v) of planar ethylene in both the Llarkee-Fdck zn& z-electron configuration interaction descriptions is quite diffuse. The extent of the F-orbital in the ii-direction as measured by (22) is 42 a$ in the V state as compared to 2.7 a; in the corres
Theoretical study of the valence π → π* excited states of polyacenes: anthracene and naphthacene
✍ Scribed by Yukio Kawashima; Tomohiro Hashimoto; Haruyuki Nakano; Kimihiko Hirao
- Book ID
- 105887243
- Publisher
- Springer
- Year
- 1999
- Tongue
- English
- Weight
- 283 KB
- Volume
- 102
- Category
- Article
- ISSN
- 1432-2234
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