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Deuterium Isotope Effects on Acid-Base Equilibrium of Organic Compounds
Deuterium isotope effects on acid–base equilibrium have been investigated using a combined path integral and free-energy perturbation simulation method. To understand the origin of the linear free-energy relationship of [Formula: see text] versus [Formula: see text] , we examined two theoretical mod...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8705040/ https://www.ncbi.nlm.nih.gov/pubmed/34946769 http://dx.doi.org/10.3390/molecules26247687 |