## Abstract The electrophilic addition reactions of methylsulfenyl chloride to the double bonds of functionalized ethenes have been studied theoretically. Density functional theory (DFT) calculations have been applied for starting species and etheneโbased sulfonium intermediates bearing substitutes
โฆ LIBER โฆ
A DFT study on regioselectivity in the [2
โ Scribed by Gitanjali Sharma; Ignatious Abraham; R. T. Pardasani; M. K. Pathak; T. Mukherjee
- Book ID
- 106517768
- Publisher
- Springer Netherlands
- Year
- 2009
- Tongue
- English
- Weight
- 292 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0922-6168
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## Abstract Density functional theory (DFT) calculations at the B3LYP/augโccโpVDZ level have been carried out to study the geometry and electronic structures, stability, sensitivity and band gap of the possible isomers of aminonitropyrazoleโ2โoxides. KamletโJacob equations were used to determine th
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