Post-transition state bifurcations induce dynamical detours in Pummerer-like reactions

A post-transition state bifurcation (PTSB) involved in a Pummerer-type rearrangement is characterized using density functional theory (DFT) calculations on potential energy stationary points and direct dynamics simulations. A sensitivity of the ratio of products produced via this PTSB to solvent die...

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Detalles Bibliográficos
Autores principales: Hare, Stephanie R., Li, Ang, Tantillo, Dean J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6296359/
https://www.ncbi.nlm.nih.gov/pubmed/30627409
http://dx.doi.org/10.1039/c8sc02653j

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6296359/
https://www.ncbi.nlm.nih.gov/pubmed/30627409
http://dx.doi.org/10.1039/c8sc02653j

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