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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...

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Detalles Bibliográficos
Autores principales:	Liu, Meiyi, Gao, Jiali
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
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

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