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Selection of theoretical parameter characterizing scavenging activity of antioxidants on free radicals

✍ Scribed by Hong-Yu Zhang


Book ID
107496455
Publisher
Springer-Verlag
Year
1998
Tongue
English
Weight
91 KB
Volume
75
Category
Article
ISSN
0003-021X

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Theoretical Investigation on Free Radica
✍ Zhang, Hong-Yu πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 950 KB

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