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Bonding, Aromaticity and Isomerization of Furfuraldehyde through Off‐Nucleus Isotropic Magnetic Shielding

Off‐nucleus isotropic magnetic shielding (σ (iso)(r)) and multi‐points nucleus independent chemical shift (NICS(0‐2 Å)) index were utilized to find the impacts of the isomerization of gas‐phase furfuraldehyde (FD) on bonding and aromaticity of FD. Multidimensional (1D to 3D) grids of ghost atoms (bq...

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Detalles Bibliográficos
Autor principal:	Al‐Yassiri, Muntadar A. H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2021
Materias:	Full Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8485829/ https://www.ncbi.nlm.nih.gov/pubmed/34596975 http://dx.doi.org/10.1002/open.202100202

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