Étude Théorique des Propriétés Électroni
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J. L. Brédas; B. Thémans; J. M. André; R. Silbey; D. S. Boudreaux; R. R. Chance
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Article
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2010
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Wiley (John Wiley & Sons)
⚖ 599 KB
The e l e c t r o n i c band s t r u c t u r e s o f various neutral and charged forms o f p o l y a n i l i n e are d i scussed. The MNOO semiempirical technique is used t o determine the p o l y a n i l i n e chain geometries. Band-structure c a l c u l a t i o n s , based on those geometries, ar