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Reactions of Melatonin and Related Indoles with Free Radicals: A Computational Study

✍ Scribed by Turjanski, Adrián G.; Rosenstein, Ruth E.; Estrin, Darío A.


Book ID
120828680
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
141 KB
Volume
41
Category
Article
ISSN
0022-2623

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A computational study of the reaction of
✍ Richard D. Gilliom 📂 Article 📅 1984 🏛 John Wiley and Sons 🌐 English ⚖ 372 KB 👁 1 views

The activation energy and optimized transition-state geometry for the abstraction of a hydrogen atom from methane by methyl radical have been calculated by the semiempirical methods MIND0/3 and MNDo. These results are compared with other semiempirical and ab initio results. The MINDO/3 method, based