Nguyen Quynh Nhu N, Tantillo Dean J
Department of Chemistry, University of California-Davis, Davis, CA 95616 (USA).
Chem Asian J. 2014 Mar;9(3):674-80. doi: 10.1002/asia.201301452. Epub 2013 Dec 27.
This account discusses representative case studies for various applications of quantum chemical calculations in synthetic organic chemistry. These include confirmation of target structures, methodology development, and catalyst design. These examples demonstrate how predictions from quantum chemical calculations can be utilized to streamline synthetic efforts.
本文讨论了量子化学计算在有机合成化学中的各种应用的代表性案例研究。这些应用包括目标结构的确认、方法学开发和催化剂设计。这些例子展示了如何利用量子化学计算的预测来简化合成工作。
