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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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| Publicado no: | ACS Omega |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2019
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6648193/ https://ncbi.nlm.nih.gov/pubmed/31459414 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b03035 |
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