Automatic discovery of photoisomerization mechanisms with nanosecond machine learning photodynamics simulations

Photochemical reactions are widely used by academic and industrial researchers to construct complex molecular architectures via mechanisms that often require harsh reaction conditions. Photodynamics simulations provide time-resolved snapshots of molecular excited-state structures required to underst...

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Detalles Bibliográficos
Autores principales: Li, Jingbai, Reiser, Patrick, Boswell, Benjamin R., Eberhard, André, Burns, Noah Z., Friederich, Pascal, Lopez, Steven A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179587/
https://www.ncbi.nlm.nih.gov/pubmed/34163763
http://dx.doi.org/10.1039/d0sc05610c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179587/
https://www.ncbi.nlm.nih.gov/pubmed/34163763
http://dx.doi.org/10.1039/d0sc05610c

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