Article ID Journal Published Year Pages File Type
5394564 Computational and Theoretical Chemistry 2012 9 Pages PDF
Abstract
► The PES for the pyrolysis of isobutanol (2-methylpropanol) has been explored. ► Form of isobutene represents the most preferable reaction. ► Fission of the Cα-Cβ bond is the most favorable simple decomposition pathway. ► The calculated enthalpies of formation are in good agreement with experiment.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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