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Exploring the full catalytic cycle of rhodium(i)–BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation

We explored the reaction mechanism of the cationic rhodium(i)–BINAP complex catalysed isomerisation of allylic amines using the artificial force induced reaction method with the global reaction route mapping strategy, which enabled us to search for various reaction paths without assumption of transi...

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Detalles Bibliográficos
Autores principales:	Yoshimura, Takayoshi, Maeda, Satoshi, Taketsugu, Tetsuya, Sawamura, Masaya, Morokuma, Keiji, Mori, Seiji
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Royal Society of Chemistry 2017
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5618337/ https://www.ncbi.nlm.nih.gov/pubmed/28970877 http://dx.doi.org/10.1039/c7sc00401j

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