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- W1501527720 abstract "We have calculated global and local DFT reactivity descriptors for isoproturon, diuron, linuron, and chlorotoluron herbicides at the MP2/6-311++G(2d,2p) level of theory. The results suggest that, in aqueous conditions, chlorotoluron, linuron, and diuron herbicides may be degraded by elimination of urea moiety through electrophilic attacks. On the other hand, electrophilic, nucleophilic, and free radical attacks on isoproturon may cause the elimination of isopropyl fragment." @default.
- W1501527720 created "2016-06-24" @default.
- W1501527720 creator A5014592941 @default.
- W1501527720 date "2015-01-01" @default.
- W1501527720 modified "2023-10-18" @default.
- W1501527720 title "Chemical Reactivity of Isoproturon, Diuron, Linuron, and Chlorotoluron Herbicides in Aqueous Phase: A Theoretical Quantum Study Employing Global and Local Reactivity Descriptors" @default.
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- W1501527720 doi "https://doi.org/10.1155/2015/751527" @default.
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