Application of molecular mechanics in studying on flotation reagents interacting with minerals 分子力学(MM)在研究浮选药剂与矿物表面作用中的应用
First, the molecular mechanics and annealing kinetics simulation achieves the3 dimensional structure graphs. 首先采用分子力学(MM)、退火动力学模拟方法得到优化后三维结构图形;
Typical methods of molecular simulation including quantum mechanics, molecular mechanics and combination method of the two were introduced briefly. 简要介绍了量子力学方法、分子力学(MM)方法及其组合方法等几种典型的分子模拟方法。
Study of Phycocyanobilin and Glycine Using ab Initio and Monte-Carlo Based Molecular Mechanics(MM) 从头算结合基于分子力学(MM)的蒙特卡洛方法对藻蓝色素与氨基乙酸的研究
Molecular Mechanics(MM) Investigation of the Intra molecular Hydrogen Bond Stability of Bile Acids 胆汁酸分子内氢键稳定性的分子力学(MM)研究