聚酰胺-胺树状大分子的分子模拟

Molecular Simulation of PAMAM Dendrimers

文章就聚酰胺-胺树状大分子及修饰后的产物进行分子力学和分子动力学分子结构的模拟和能量的计算,表明低代聚酰胺-胺树状大分子具有规整舒展的立体结构特点,印证了前期的合成与性质研究工作,并将为树状大分子进行纳米复合材料的模拟计算奠定基础.

The Dendrimers and the decorated dendrimers,through the molecular mechanics and the molecular dynamics structure simulation and the energy computation,have been indicated the neatly stretches and spatial structure characteristics for the low generation of dendrimers which verify the earlier period synthesis and the property research,and will lay the foundation with which the dendrimers will apply to simulation computation of the nanometer compound material.