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A theoretical investigation on DPPH radical-Scavenging mechanism of edaravone

✍ Scribed by Lan-Fen Wang; Hong-Yu Zhang

Book ID
108073059
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
135 KB
Volume
13
Category
Article
ISSN
0960-894X

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The difference of heat of formation between parent molecule and its free radical (DHOF), calculated by semiempirical quantum chemical method AM1, was employed as a theoretical index to characterize the OΓ€H bond dissociation energy (BDE) of antioxidant. Through a comparison between DHOF of model mole