Despite great progress in recent decades in heterogeneous selective oxidation and ammoxidation of short alkanes, the selectivity and activity need to be improved. We use Quantum Mechanics (QM) to determine the atomistic level mechanisms for several heterogenous catalysts, which we use to suggest improvements.

Mechanisms for selective activation of C2, C3, and C4 alkanes, suggestions for improvements

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.