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Theoretical insights on the antioxidant activity of edaravone free radical scavengers derivatives

✍ Scribed by Cerón-Carrasco, José P.; Roy, Hélène M.; Cerezo, Javier; Jacquemin, Denis; Laurent, Adèle D.


Book ID
123455150
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
730 KB
Volume
599
Category
Article
ISSN
0009-2614

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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 OÀH bond dissociation energy (BDE) of antioxidant. Through a comparison between DHOF of model mole