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汉语拼音：liàng zǐ huà xué

应用量子力学的规律和方法来研究化学现象及化学问题的一门学科。主要包括分子间作用力、论述分子结构与性能关系的理论、化学键理论等内容。

• The molecular Hamiltonian is formidable enough to strike terror into the heart of any quantum chemist.

  分子的哈密顿函数麻烦得足以使任何一个量子化学家心惊胆战。

• The present work provides a useful way to deal with quantum chemistry calculations of the kind of molecular crystals like urea.

  提供了一种解决分子晶体量子化学理论计算的新思路。

• The prediction mechanism of the film formation is in good agreement with experimental results.

  量子化学的计算预测结果与摩擦学实验结果相符。

• Analyzing the characteristics of CVD process, the main calculation in quantum chemistry methods was introduced.

  本文分析了化学气相沉积过程的特点，并对量子化学计算的主要方法进行介绍。

• In the paper the electronic structures of the template molecules are discussed through quantum chemistry calculation.

  同时采用量子化学的方法对活性构象模板分子电子结构作了讨论。

• The experimental results in this work were explained by the data of the quantum chemical calculation.

  通过量子化学计算结果对本文实验观测结果进行了解释。

• In principle, it is possible with the development of quantum chemistry and computing technology.

  量子化学和现代计算技术的发展，已基本上能满足这一要求。

• In Chapter II, the quantum chemistry theory, the topological analysis of electron density and the relevant dynamics theory are summarized.

  第二章介绍了现代量子化学基本理论、量子拓扑学原理及动力学的相关理论。

• One is an introduction to computational techniques in quantum chemistry and the other is an introduction on scattering theory.

  一是在量子化学方面的计算的技术的介绍，另一个是关于散射理论的一个介绍。