Understanding the Molecular Mechanism of the Rearrangement of Internal Nitronic Ester into Nitronorbornene in Light of the MEDT Study

The characterization of the structure of nitronic esters and their rearrangement into nitronorbornene reactions has been analyzed within the Molecular Electron Density Theory (MEDT) using Density Functional Theory (DFT) calculations at the B3LYP/6-31G(d) computational level. Quantum-chemical calcula...

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Detalles Bibliográficos
Autor principal: Kącka-Zych, Agnieszka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6384843/
https://www.ncbi.nlm.nih.gov/pubmed/30696070
http://dx.doi.org/10.3390/molecules24030462

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6384843/
https://www.ncbi.nlm.nih.gov/pubmed/30696070
http://dx.doi.org/10.3390/molecules24030462

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