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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2017
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| 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 |