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(1)J(CH) Coupling in Benzaldehyde Derivatives: Ortho Substitution Effect

[Image: see text] The natural J-coupling (NJC) method is applied to analyze the Fermi contact contribution of the NMR spin–spin coupling constant decomposing this contribution in terms of natural localized molecular orbitals. We investigated the influence of the basis set on the NJC analysis for the...

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Detalles Bibliográficos
Autores principales:	Nepel, Angelita, Viesser, Renan V., Tormena, Cláudio F.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2019
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648193/ https://www.ncbi.nlm.nih.gov/pubmed/31459414 http://dx.doi.org/10.1021/acsomega.8b03035

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