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Type: Artigo de periódico
Title: The Molecular Rectifier Revisited
Author: Pickholz M.A.
Dos Santos M.C.
Abstract: We present a series of electronic and conformational studies on the push-pull system Z-β-(1-methyl-4-quinolinium)-γ-cyano-4-styryldicyanomethanide, CH3-Q3CNQ based on semi-empirical calculations to assess solvent, external electric field and correlation effects. The ground state conformation obtained is not of zwitterionic type, and a different interpretation of the rectifying behavior of this system is presented.
Rights: fechado
Identifier DOI: 
Date Issue: 1997
Appears in Collections:Unicamp - Artigos e Outros Documentos

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