本文在前人工作的基础上，提出一种根据分子结构预测饱和烃偏心因子的新方法。

On the basis of predecessors 'work, the author advanced a new method for calculating acentric factors of saturated hydrocarbon according to the molecular structure.

youdao

该方法的提出，不仅揭示了有机物闪点与分子结构之间的定量关系，而且为工程上提供了一种预测有机物闪点的新的有效方法。

The proposed model can be used not only to reveal the quantitative relation between flash points and molecular structures but to predict the flash points of organic compounds for chemical engineering.

youdao

如果给定对应某未知物的一组候选分子结构，该程序可通过预测质谱的比较来评价这些候选结构。

Given a set of candidate structures for an unknown compound, this program can be used to evaluate each candidate based on a comparison of the predicted and observed spectra.

youdao

So that means that we don't have to worry about things like wave functions when we're talking about Lewis structures, but because they're so simple to use and because they so often predict the electron configuration of molecules accurately, we end up using them all the time in chemistry, so it's very valuable to know how to draw them correctly and to know how to work with them.

因此这也就意味着我们在讨论路易斯结构的时候,不需要担心波函数之类的东西，但是由于路易斯结构不仅简单易用,而且用它来预测分子的电子排布,经常可以得到非常精确的结果，结果我们在化学中一直都在用它，因此知道如何正确地画出并运用,路易斯结构是非常有价值的。

麻省理工公开课 - 化学原理课程节选

This was something we could not predict using Lewis structures, but we can predict using MO theory that we have a radical species here.

这是我们从Lewis结构里不能预测的，但我们可以用分子轨道理论,预测自由基。

麻省理工公开课 - 化学原理课程节选