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1·Molecular simulation is widely used in polymer science field.

分子模拟已经越来越广泛的应用于高分子科学领域。

2·The results are in accord with computer-aided molecular simulation.

所得结论与计算机分子模拟结果一致。

3·In the study of the field, molecular simulation will play an important role.

在该领域的研究中，分子模拟将发挥重要作用。

4·The development and main computational methods of molecular simulation were reviewed.

详细介绍了分子模拟技术和其主要计算方法。

5·Study the vapor-liquid phase equilibrium and radial distribution of water by molecular simulation;

介绍了汽液相平衡的测定方法、研究现状及气相色谱法在汽液相平衡研究中的应用。

6·Molecular simulation is used to calculate the diffusion coefficient of thiophene and n-heptane in PEG membrane.

并通过分子模拟方法模拟了噻吩和正庚烷在PEG膜中的扩散系数。

7·The paper USES computer molecular simulation technology and studies the Humul coal inertinite structure on the molecular scale.

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。

8·One of both experimental and the computer molecular simulation can not meet the demands of the study on the supporting mechanism.

指出将实验方法和计算机分子模拟方法二者结合起来， 能够加快研究进程。

9·To do just that, the researchers used a computational algorithm and molecular simulation to predict their new molecular form of frozen water.

为此，研究人员使用计算算法和分子模拟来预测冰的这种新分子形式。

10·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。