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Solvent effects on the stereoselectivity of ketene?imine cycloaddition reactions

✍ Scribed by L�pez, R.; Su�rez, D.; Ruiz-L�pez, M. F.; Gonz�lez, J.; Sordo, J. A.; Sordo, T. L.

Book ID
118067461
Publisher
The Royal Society of Chemistry
Year
1995
Tongue
English
Weight
272 KB
Volume
16
Category
Article
ISSN
0022-4936

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Theoretical analysis of the role of the
Theoretical analysis of the role of the solvent on the reaction mechanisms: One-step versus two-step ketene–imine cycloaddition
✍ X. Assfeld; M. F. Ruiz–lopez; J. Gonzalez; R. Lopez; J. A. Sordo; T. L. Sordo 📂 Article 📅 1994 🏛 John Wiley and Sons 🌐 English ⚖ 690 KB

The effect of correlation energy, basis set size, zero-point energy (ZPE) correction, and solvation on the reaction mechanism of the ketene-imine cycloaddition reaction has been investigated. The electrostatic solvent effect was studied with a self-consistent reaction field method in which the solva