Browsing Division of Chemical Sciences by Subject "catalysts"
Now showing items 1-2 of 2
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Rational Design of Efficient Catalysts using First-Principles and Machine Learning
Rising concerns about the impending energy crisis and environmental impact have garnered tremendous research interest in developing catalysts for sustainable fuel production and pollution abatement. However, the traditional ... -
Understanding the Mechanism and Stereoselectivity of Fe-catalyzed Carbene Insertion Reactions using Computational Tools
Transition-metal and enzyme-catalyzed carbene insertion reactions are key methods for constructing C–X (X=N, O, S) and C–C bonds, primarily using catalysts such as Rh, Pd, Au, Cu, and Fe. While most of these give high ...