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Close relation between quantum interference in molecular conductance and diradical existence

An empirical observation of a relationship between a striking feature of electronic transmission through a π-system, destructive quantum interference (QI), on one hand, and the stability of diradicals on the other, leads to the proof of a general theorem that relates the two. Subject to a number of...

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Detalhes bibliográficos
Publicado no:Proc Natl Acad Sci U S A
Main Authors: Tsuji, Yuta, Hoffmann, Roald, Strange, Mikkel, Solomon, Gemma C.
Formato: Artigo
Idioma:Inglês
Publicado em: National Academy of Sciences 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4743817/
https://ncbi.nlm.nih.gov/pubmed/26755578
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1518206113
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