In this work,a full optimal calculation on the molecular geometry and electronic structure of C24H30O8 has been performed using density functional theory(DFT) methods at B3LYP/6-31G* level.

• 采用密度泛函理论(DFT)方法,在B3LYP/6-31G*水平下全优化得到了该化合物的分子几何构型和电子结构;