摘要
化学理论和计算研究的重大进展,使整个化学正在经历着一场革命性变化,化学的发展进入了一个新的阶段。化学理论计算已经成为化学学科不可缺少的组成部分,计算机模拟实际化学体系的微观结构及变化过程正在发展成为一种其他方法不能代替的强有力的研究手段。本文对化学理论计算的现状和发展趋势作简要的介绍和评述。
The enormous theoretical and computational progress in chemistry results in revolutionizing the whole of chemistry. The development of chemistry is in a new stage. Theoretical computation becomes an indispensable component part of chemistry. The computer modeling of microscopic structure and change processes in real systems is being developed as a powerful tool for chemical studies, which can't be replaced by other means. The present situ- ation and development trend are briefly reviewed in this article .
出处
《中国基础科学》
2001年第2期16-21,共6页
China Basic Science
