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Interpreting Oxidative Addition of Ph–X (X = CH(3), F, Cl, and Br) to Monoligated Pd(0) Catalysts Using Molecular Electrostatic Potential

[Image: see text] A B3LYP density functional theory study on the oxidative addition of halogenobenzenes and toluene to monoligated zerovalent palladium catalysts (Pd–L) has been carried out using the “L” ligands such as phosphines, N-heterocyclic carbenes, alkynes, and alkenes. The electron deficien...

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Detalles Bibliográficos
Autores principales:	Anjali, Bai Amutha, Suresh, Cherumuttathu H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2017
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641867/ https://www.ncbi.nlm.nih.gov/pubmed/31457715 http://dx.doi.org/10.1021/acsomega.7b00745

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