Microhydration and the Enhanced Acidity of Free Radicals

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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Bibliographic Details
Main Author:	John C. Walton
Format:	Article
Language:	English
Published:	MDPI AG 2018-02-01
Series:	Molecules
Subjects:	free radicals acidity DFT computations hydration
Online Access:	http://www.mdpi.com/1420-3049/23/2/423

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