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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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書誌詳細
出版年:ACS Omega
主要な著者: Anjali, Bai Amutha, Suresh, Cherumuttathu H.
フォーマット: Artigo
言語:Inglês
出版事項: American Chemical Society 2017
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC6641867/
https://ncbi.nlm.nih.gov/pubmed/31457715
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.7b00745
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