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Type: Artigo de periódico
Title: Electronic Structure Of Polyacetylene With Bonded Oxygen
Author: Lavarda F.C.
Galvao D.S.
Laks B.
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.
Rights: fechado
Identifier DOI: 10.1016/0379-6779(92)90268-N
Date Issue: 1992
Appears in Collections:Unicamp - Artigos e Outros Documentos

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