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Quantifying the Stability of the Hydronium Ion in Organic Solvents With Molecular Dynamics Simulations
The solution-phase stability of the hydronium ion catalyst significantly affects the rates of acid-catalyzed reactions, which are ubiquitously utilized to convert biomass to valuable chemicals. In this work, classical molecular dynamics simulations were performed to quantify the stability of hydroni...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Frontiers Media S.A.
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6594219/ https://www.ncbi.nlm.nih.gov/pubmed/31275924 http://dx.doi.org/10.3389/fchem.2019.00439 |