详细介绍了分子模拟技术和其主要计算方法。
The development and main computational methods of molecular simulation were reviewed.
采用计算机分子模拟技术，在分子尺度上研究了哈密惰质组结构性质。
The paper USES computer molecular simulation technology and studies the Humul coal inertinite structure on the molecular scale.
分子模拟技术利用分子图形学和计算化学技术来构建、展示和分析分子结构，计算分子性质。
Using Molecular Figure and Computational Chemistry, molecular modeling can build up, bring forth and analyze molecular structure, computing its characters.
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