How solvent determines the molecular reactive conformation and the selectivity: Solvation spheres and energy

In solution, the solvent determines the molecular conformation and the chemical reaction viability and selectivity. When solvent-solute and solvent-solvent interactions present similar strengths, explicit salvation is the best way to describe a system. The problem to solve is how big the explicit sh...

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Detalles Bibliográficos
Autores principales: Hernández-Lima, Joseelyne, Ramírez-Gualito, Karla, Quiroz-García, Beatriz, Silva-Portillo, Ana Luisa, Carrillo-Nava, Ernesto, Cortés-Guzmán, Fernando
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9557062/
https://www.ncbi.nlm.nih.gov/pubmed/36247683
http://dx.doi.org/10.3389/fchem.2022.1012769

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9557062/
https://www.ncbi.nlm.nih.gov/pubmed/36247683
http://dx.doi.org/10.3389/fchem.2022.1012769

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