Application of Q2MM to Stereoselective Reactions

作者：Lill Sten O Nilsson; Forbes Aaron; Donoghue Patrick; Verdolino Vincenzo; Wiest Olaf^*; Rydberg Patrik; Norrby Per Ola

来源：Current Organic Chemistry, 2010, 14(15): 1629-1645.

• Q2MM
• transition state force fields
• molecular mechanics
• reaction rates
• asymmetric selectivity

Q2MM is a method designed to allow application of molecular mechanics calculations to transition states in chemical reactions. It is one of the few methods available that allow determination of a complete set of low-energy transition states for medium-sized systems, and thereby gives a unique opportunity to investigate kinetic selectivity, in particular stereoselectivity. The current review will give an outline of the procedure, an overview of the types of reactions that have been studied using this method, and summarize the factors affecting the accuracy of the results.

• 出版日期2010-9