Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/100135
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.
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Rights: fechado
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Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-0031073224&partnerID=40&md5=fcdd52fb3c4d917bd2347843b7ef3907
Date Issue: 1997
Appears in Collections:Unicamp - Artigos e Outros Documentos

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