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Microhydration and the Enhanced Acidity of Free Radicals
Recent theoretical research employing a continuum solvent model predicted that radical centers would enhance the acidity (RED-shift) of certain proton-donor molecules. Microhydration studies employing a DFT method are reported here with the aim of establishing the effect of the solvent micro-structu...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6017598/ https://www.ncbi.nlm.nih.gov/pubmed/29443952 http://dx.doi.org/10.3390/molecules23020423 |