Using the tight binding molecular dynamics model (TBMD), Na cluster collision processes have been studied at the different initial conditions.

利用紧束缚模型，通过对不同初始条件下的碱金属团簇的碰撞研究，得到形成大分子团簇的可能性。

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Dauricine was taken as a lead compound and the Q-model information cluster analysis was employed for the computer-aided molecular design.

以蝙蝠葛碱为先导化合物，采用Q型信息群分法，进行计算机辅助系列设计。

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