| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394635 | Computational and Theoretical Chemistry | 2012 | 11 Pages |
Abstract
⺠We computationally studied the interaction between magnesium clusters and organic halides. ⺠We found four reaction channels that can be classified as radical and non-radical. ⺠Calculated Gibbs free energies of activation are close to experimental values. ⺠For alkyl chlorides, radical channels are preferred. ⺠Regarding vinyl and phenyl halides, radical channels are only preferred due to the entropy factor.
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Physical and Theoretical Chemistry
Authors
V.V. Porsev, Yu.V. Barsukov, A.V. Tulub,