ChemInform Abstract: A Theoretical Study
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M. BORONAT; P. VIRUELA; A. CORMA
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Article
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2010
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John Wiley and Sons
⚖ 26 KB
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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