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|Type:||Artigo de periódico|
|Title:||Electronic Structure Of Polyacetylene With Bonded Oxygen|
|Abstract:||In this work we have studied the electronic structure of finite polyacetylene chains with structural oxygen-bonding models following data from 13C-NMR experiments. We have used a combination of Austin Method One and Hydrogenic Atoms in Molecules version 3 methods to perform geometric and spectroscopic calculations. Our results show that the electronically-active states are generally unaffected by the incorporation of oxygen. © 1992.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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