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Competing quantum effects in heavy-atom tunnelling through conical intersections

Thermally activated chemical reactions are typically understood in terms of overcoming potential-energy barriers. However, standard rate theories break down in the presence of a conical intersection (CI) because these processes are inherently nonadiabatic, invalidating the Born–Oppenheimer approxima...

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Detalles Bibliográficos
Autores principales: Fang, Wei, Heller, Eric R., Richardson, Jeremy O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10566476/
https://www.ncbi.nlm.nih.gov/pubmed/37829019
http://dx.doi.org/10.1039/d3sc03706a