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Type: Artigo de periódico
Title: Interchain And Correlation Effects In Oligothiophenes
Author: Pickholz M.
Dos Santos M.C.
Abstract: In the present work we present ab initio 3-21 G* calculations on oligothiophene pairs. Electronic correlation has been accounted for at MP2 level. Electronic structures of a series of bithiophene and terthiophene pairs were investigated as function of the intermolecular distance, for neutral and charged systems. The results indicate that the stability of π-dimers increases with the oligomer size and that the intermolecular interaction can be strong enough to allow an intermolecular charge separation.
Editor: Elsevier Sequoia SA, Lausanne, Switzerland
Rights: fechado
Identifier DOI: 10.1016/S0379-6779(98)00540-2
Date Issue: 1999
Appears in Collections:Unicamp - Artigos e Outros Documentos

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