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Deciphering Methylation Effects on S(2)(ππ*) Internal Conversion in the Simplest Linear α,β-Unsaturated Carbonyl

[Image: see text] Chemical substituents can influence photodynamics by altering the location of critical points and the topography of the potential energy surfaces (electronic effect) and by selectively modifying the inertia of specific nuclear modes (inertial effects). Using nonadiabatic dynamics s...

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Detalles Bibliográficos
Autores principales: Chakraborty, Pratip, Couto, Rafael C., List, Nanna H.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10316407/
https://www.ncbi.nlm.nih.gov/pubmed/37331016
http://dx.doi.org/10.1021/acs.jpca.3c02582