Llwytho...
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...
Wedi'i Gadw mewn:
| Cyhoeddwyd yn: | Int J Mol Sci |
|---|---|
| Prif Awduron: | , , , , , |
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
MDPI
2021
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| Pynciau: | |
| Mynediad Ar-lein: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8268095/ https://ncbi.nlm.nih.gov/pubmed/34206795 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms22136876 |
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