✦ LIBER ✦
ChemInform Abstract: A Theoretical Study on the Mechanism of the Superacid-Catalyzed Unimolecular Isomerization of n-Alkanes and n-Alkenes. Comparison Between ab initio and Density Functional Results
✍ Scribed by M. BORONAT; P. VIRUELA; A. CORMA
- Publisher
- John Wiley and Sons
- Year
- 2010
- Weight
- 26 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0931-7597
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✦ Synopsis
A Theoretical Study on the Mechanism of the Superacid-Catalyzed Unimolecular Isomerization of n-Alkanes and n-Alkenes. Comparison Between ab initio and Density Functional Results -(in predicting transition state properties and activation energies of branching rearrangement of 2-pentyl cation, which can be extrapolated to higher aliphatic carbenium ions).