科技信息
科技信息
과기신식
SCIENTIFIC & TECHNICAL INFORMATION
2009年
33期
260
,共1页
Quantum chemisry%Calculation methods%Application
The paper introduces ab inito calculations, Seim-Empirical and DFT theory and molecular method, Its steady growth, application and influence are evedently by mordem chemical attitudes and approehes as well as the eontinous increase in the sophistication of computional techniques.
