Abstract:

Molecular simulation as a promising technology of computational chemistry has been rapidly developed in recent years.It is a useful tool in the fields of material design and structural construction.The remarkable achievements make it possible to apply this technology to other fields.The applications of molecular simulation in molecular imprinting technology are reviewed.

摘要：

分子模拟是近年来发展起来的一门新兴的计算化学技术.它在辅助物质设计和分子结构理解方面取得的显著成绩使得它在其他领域中有着越来越广泛的应用.综述了分子模拟在分子印迹技术中的应用.