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The Radical Transformation in Artemisinin: A DFT Study

✍ Scribed by Gu, Jiande; Chen, Kaixian; Jiang, Hualiang; Leszczynski, Jerzy

Book ID
118046644
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
95 KB
Volume
103
Category
Article
ISSN
1089-5639

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## Abstract The present study employs a complete theoretical investigation, at the B3LYP/cc‐pVTZ level of theory, of the interactions between the tyrosyl radical and nitric oxide, exploring in detail the nitrotyrosine formation radical mechanism. Tyrosyl radicals play an essential role in catalytic