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Probing the simulant behavior of PNPDPP toward parathion and paraoxon: A computational study

✍ Scribed by Md Abdul Shafeeuulla Khan; Tusar Bandyopadhyay; Bishwajit Ganguly

Book ID
113723411
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
590 KB
Volume
34
Category
Article
ISSN
1093-3263

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Probing the structural and electronic ef
Probing the structural and electronic effects to stabilize nonplanar forms of thioamide derivatives: A computational study
✍ Manoj K. Kesharwani; Bishwajit Ganguly πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 217 KB πŸ‘ 1 views

## Abstract Density functional calculations have been performed to examine the stability of nonplanar conformations of thioamide derivatives. Electrostatic, orbital, and ring strain effects were invoked to stabilize the nonplanar conformations of thioamide systems **2**–**7**. Electrostatic interac