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New Tools for Taming Complex Reaction Networks: The Unimolecular Decomposition of Indole Revisited

[Image: see text] The level of detail attained in the computational description of reaction mechanisms can be vastly improved through tools for automated chemical space exploration, particularly for systems of small to medium size. Under this approach, the unimolecular decomposition landscape for in...

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Detalles Bibliográficos
Autores principales: Garay-Ruiz, Diego, Álvarez-Moreno, Moises, Bo, Carles, Martínez-Núñez, Emilio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9718323/
https://www.ncbi.nlm.nih.gov/pubmed/36855573
http://dx.doi.org/10.1021/acsphyschemau.1c00051