| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5378745 | Chemical Physics Letters | 2016 | 18 Pages |
Abstract
•Investigates the catalytic mechanism for the Beckmann rearrangement in concentrated H2SO4.•Proposes an alternative reaction mechanism which has a lower reaction barrier height.•The reaction energies and barrier height are calculated by means of Gaussian-4 theory.
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Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
