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Computational Studies of Coinage Metal Anion M(−) + CH(3)X (X = F, Cl, Br, I) Reactions in Gas Phase

We characterized the stationary points along the nucleophilic substitution (S(N)2), oxidative insertion (OI), halogen abstraction (XA), and proton transfer (PT) product channels of M(−) + CH(3)X (M = Cu, Ag, Au; X = F, Cl, Br, I) reactions using the CCSD(T)/aug-cc-pVTZ level of theory. In general, t...

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Detalles Bibliográficos
Autores principales:	Wang, Fan, Ji, Xiaoyan, Ying, Fei, Zhang, Jiatao, Zhao, Chongyang, Xie, Jing
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8746851/ https://www.ncbi.nlm.nih.gov/pubmed/35011542 http://dx.doi.org/10.3390/molecules27010307

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