| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394209 | Computational and Theoretical Chemistry | 2013 | 12 Pages |
Abstract
⺠The Grignard reagent (EtMgBr) formation was studied using DFT method. ⺠The magnesium oxidation rate correlates with oxidizer's adsorption energy on Mg. ⺠The solvation of the products in a solution is absolutely necessary for the reaction. ⺠Adsorption of the solvent molecules results in the activation of the surface Mg atoms.
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Physical and Theoretical Chemistry
Authors
Sergey V. Panteleev, Stanislav K. Ignatov, Stanislav V. Maslennikov, Irina V. Spirina, Alexey G. Razuvaev, Sergey N. Belyaev,