We have computed the energy band structures of the infmite poly(TCNQ), poly(TCNQ\*\_), poIy(ITF) and polyUTF2f) chains using the CNDO/Z and where possible tbe MNDO/Z crystal orbital approximation schemes. The retits show E broad conr',uction band for poljj(TCNQ) and a broad valence band for poly(l'T
Electronic structure of alkane chains. Complete one-dimensional band structures of the valence states
✍ Scribed by Ch. Zubrägel; F. Schneider; M. Neumann; G. Hähner; Ch. Wöll; M. Grunze
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 501 KB
- Volume
- 219
- Category
- Article
- ISSN
- 0009-2614
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