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First-Principles Study of the Dispersion Effects in the Structures and Keto–Enol Tautomerization of Curcumin
[Image: see text] Noncovalent interactions, such as dispersion, play a significant role in the stability of flexible molecules, such as curcumin. This study revealed the importance of dispersion correction in the structure and keto–enol tautomerization of curcumin, which has rarely been addressed in...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10515353/ https://www.ncbi.nlm.nih.gov/pubmed/37744805 http://dx.doi.org/10.1021/acsomega.3c04907 |