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Theory, Dynamics, and Mechanisms of Cycloadditions

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RSC Robert Robinson award Lecture

The distortion/interaction model to understand reactivity in cycloadditions has superseded the frontier molecular orbital model for these reactions. Applications will be described that provide understanding of cycloadditions that have been applied to synthesis, materials chemistry and chemical biology. Molecular dynamics simulations of Huisgen’s 1,3-dipolar cycloadditions, Diels-Alder reactions, and carbene cycloadditions provide information on the timing of bond formation and provide time-resolved information about mechanisms.

This talk is part of the Theory - Chemistry Research Interest Group series.

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