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Ab Initio MO Studies on Polysilane Oligomer Radical Anions as Model Molecules of Polysilane Radical Anions

✍ Scribed by Tada, Tsukasa; Yoshimura, Reiko


Book ID
126094864
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
118 KB
Volume
107
Category
Article
ISSN
1089-5639

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Ab initio study of n-tetrasilane cation
✍ Yoichi Yamaguchi πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 215 KB πŸ‘ 2 views

The geometric and electronic structures of n-tetrasilane cation and anion radicals as models of doped linear polysilanes are studied theoretically using an ab initio Ε½ . molecular orbital method at the UMP2r6-31 q G d, p level of calculations. It is found that the trans-conformations in these molecu