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This Feature article presents recent representative applications of the combination of the Activation Strain Model of reactivity and the Energy Decomposition Analysis methods to understand the reactivity of Frustrated Lewis Pairs (FLPs). This approach has been helpful to not only gain a deeper quantitative insight into the factors controlling the cooperative action between the Lewis acid/base partners but also to rationally design highly active systems for different bond activation reactions. Issues such as the influence of the nature of the FLP antagonists or the substituents directly attached to them on the reactivity are covered herein, which are crucial for the future development of this fascinating family of compounds.

Graphical abstract: Understanding the reactivity of frustrated Lewis pairs with the help of the activation strain model–energy decomposition analysis method

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