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ChemInform Abstract: Theoretical Study on the Mechanism of the Superacid-Catalyzed Unimolecular Isomerization of n-Butane and 1-Butene

✍ Scribed by M. BORONAT; P. VIRUELA; A. CORMA

Book ID
112031729
Publisher
John Wiley and Sons
Year
2010
Weight
24 KB
Volume
27
Category
Article
ISSN
0931-7597

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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