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Isoliquiritigenin, liquiritigen, uralenol, and neouralenol are four natural licorice flavonoid compounds extracted from licorice, which have the ability of scavenging free radicals. In this paper, the density functional theory (DFT) was used to study the microscopic reaction mechanism of the four kinds of licorice flavonoids respectively scavenging ·OOCl3C in vivo. At the level of M06-2X/6-311+G(d,p),...
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