摘要
HO-PAMAM-2. 5 G-protected lanthanum cluster was studied by Virtual Molecule （VM） software. Molecular dynamics （MD） simulation of the nanocomposite system was performed from the viewpoints of molecular structure and energy＇s fluctuation in NVT system. The motivation of this work was to understand the stability and mechanism of the nanocomposite in different proportion. simulation results reveal that The molecular dynamics when the quantity of La in per HO-PAMAM-2.5G amounted to 0 - 60, the radius of gyration of HO-PAMAM-2.5/La nanocomposite is obviously decreased.
HO-PAMAM-2. 5 G-protected lanthanum cluster was studied by Virtual Molecule （VM） software. Molecular dynamics （MD） simulation of the nanocomposite system was performed from the viewpoints of molecular structure and energy＇s fluctuation in NVT system. The motivation of this work was to understand the stability and mechanism of the nanocomposite in different proportion. simulation results reveal that The molecular dynamics when the quantity of La in per HO-PAMAM-2.5G amounted to 0 - 60, the radius of gyration of HO-PAMAM-2.5/La nanocomposite is obviously decreased.
