Then the actuality and application of molecular simulation study of polymer blends were generally described. Finally, molecular modeling trends were also prospected.
概括叙述了用分子模拟方法研究聚合物共混相容性的现状及应用，对分子模拟发展趋势作了展望。
The basic methods of both molecular modeling and computer simulation are briefly introduced and the specific codes for three sections (data input, moving atom and data output) are given.
简要地介绍了分子建模与计算机模拟的基本方法并给出了数据读入、移动原子、数据输出三部分的具体实现代码。
Molecular simulation modeling study indicated that vanadium oxides with vanadium of low oxidation number facilitated the conversion of sulfides.
过滤金属化合物与硫化物相互作用的分子模拟研究结果表明，低氧化数钒的氧化物有利于促进硫化物的转化。
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