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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...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| 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 |