摘要
The paper introduces ab inito calculations,Seim-Empirical and DFT theory and molecular method,Its steady growth,application and influence are evedently by mordern chemical attitudes and approches as well as the continous increase in the sophistication of computional techniques .
The paper introduces ab inito calculations, Seim-Empirical and DFT theory and molecular method, Its steady growth,application and influence are evedently by mordern chemical attitudes and approches as well as the continous increase in the sophistication of computional techniques.
出处
《科技信息》
2009年第33期260-260,共1页
Science & Technology Information
关键词
化学结构
化学方法
质量
计算方法
Quantum ehemisry
Calculation methods
Application
