MOLECULARMECHANICS相关论文
Effect of Extended Polymer Chain on the Properties of Transparent Multi-Walled Carbon Nanotubes/Poly
The optically transparent and electrically conductive thin films composed of multi-walled carbon nanotube (MWCNT) reinfo......
Methods in Molecular Simulation:Force field development and Optimized Ewald2D Algorithms for Electro
Using an example of a platform chemical 3-hydroxypropionic acid,we comprehensively illustrate a general process of fitti......
分子力学(简称MM)是近年来化学家常用的一种计算方法。与量子力学从头计算和半经验方法相比,用分子力学处理大分子可以大大节省计算时间......