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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...
Autores principales: | Garay-Ruiz, Diego, Álvarez-Moreno, Moises, Bo, Carles, Martínez-Núñez, Emilio |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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 |
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