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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...
Tallennettuna:
| Julkaisussa: | Front Chem |
|---|---|
| Päätekijät: | , |
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
Frontiers Media S.A.
2019
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| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6594219/ https://ncbi.nlm.nih.gov/pubmed/31275924 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2019.00439 |
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