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A REP-FAMSEC Method as a Tool in Explaining Reaction Mechanisms: A Nucleophilic Substitution of 2-Phenylquinoxaline as a DFT Case Study

In search for the cause leading to low reaction yields, each step along the reaction energy profile computed for the assumed oxidative nucleophilic substitution of hydrogen (ONSH) reaction between 2-phenylquinoxaline and lithium phenylacetylide was modelled computationally. Intermolecular and intram...

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Detalles Bibliográficos
Autores principales:	Mdhluli, Brian Kamogelo, Nxumalo, Winston, Cukrowski, Ignacy
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7998666/ https://www.ncbi.nlm.nih.gov/pubmed/33809294 http://dx.doi.org/10.3390/molecules26061570

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