First Principle Molecular Dynamics of the Oxidation of Methyl‐Hydroxybenzoic Acid Esters by Hydroxyl Radical in Water: Importance of the Number of Hydroxyl Groups
Author:
Affiliation:
1. Institut des Sciences Moléculaires, UMR 5255Univ. Bordeaux, 351 crs de la Libération 33400 Talence France
Publisher
Wiley
Subject
General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/slct.201803262
Reference17 articles.
1. O. L. Aruoma B. Halliwell (Eds) Molecular Biology of free radicals in human diseases Oica International 1988 p 60.
2. Hydroxyl Radical is the Major Causative Factor in Stress-Induced Gastric Ulceration
3. Hydroxyl Radical and Its Scavengers in Health and Disease
4. Critical Review of rate constants for reactions of hydrated electrons, hydrogen atoms and hydroxyl radicals (⋅OH/⋅O− in Aqueous Solution
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1. First principle molecular dynamics of hydroxyl radical induced oxidation of guanine and 2′-deoxyguanosine 5′-monophosphate in a cluster of water molecules;Chemical Physics;2022-02
2. Ab initio molecular dynamics of free radical-induced oxidation of ergothioneine;Journal of Molecular Modeling;2019-10-26
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