Chiral phosphoric acids (CPAs) have emerged as powerful organocatalysts for asymmetric reactions, and applications of computational quantum chemistry have revealed important insights into the activity and selectivity of these catalysts. In this tutorial review, we provide an overview of computational tools at the disposal of computational organic chemists and demonstrate their application to a wide array of CPA catalysed reactions. Predictive models of the stereochemical outcome of these reactions are discussed along with specific examples of representative reactions and an outlook on remaining challenges in this area.

中文翻译：

---

手性磷酸催化：从数字到见解†

手性磷酸（CPA）已成为不对称反应的强大有机催化剂，计算量子化学的应用揭示了对这些催化剂的活性和选择性的重要见解。在本教程中，我们概述了可供计算有机化学家使用的计算工具，并展示了它们在各种CPA催化反应中的应用。讨论了这些反应的立体化学结果的预测模型，以及代表性反应的具体实例以及对该领域尚存挑战的展望。