A DFT study of the chemical reactivity of thiobencarb and its oxidized derivatives in aqueous phase

In the present work, the global and local reactivity of S-(4-chlorobenzyl)- N,N-diethylthiocarbamate (TB) and its oxidized derivatives (sulfone (TBSu) and sulfoxide (TBS) were analyzed. In addition, the chemical reactivities of the dechlorinated forms of TB (DTB), TBSu (DTBSu) and TBS (DTBS) were st...

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Bibliographic Details
Main Author: Mendoza-Huizar Luis Humberto
Format: Article
Language:English
Published: Serbian Chemical Society 2018-01-01
Series:Journal of the Serbian Chemical Society
Subjects:
DFT
Online Access:http://www.doiserbia.nb.rs/img/doi/0352-5139/2018/0352-51391800034M.pdf