Effect of the Nucleophile’s Nature on Chloroacetanilide Herbicides Cleavage Reaction Mechanism. A DFT Study

In this study, the degradation mechanism of chloroacetanilide herbicides in the presence of four different nucleophiles, namely: Br(−), I(−), HS(−), and S(2)O(3)(−2), was theoretically evaluated using the dispersion-corrected hybrid functional wB97XD and the DGDZVP as a basis set. The comparison of...

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Detalles Bibliográficos
Autores principales: Cuesta, Sebastián A., Torres, F. Javier, Rincón, Luis, Paz, José Luis, Márquez, Edgar A., Mora, José R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8268095/
https://www.ncbi.nlm.nih.gov/pubmed/34206795
http://dx.doi.org/10.3390/ijms22136876

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8268095/
https://www.ncbi.nlm.nih.gov/pubmed/34206795
http://dx.doi.org/10.3390/ijms22136876

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