单词quantum chemistry
na.: 量子化学
网络: 量子化学方法；量子化学计算
量子化学
Quantum chemistry methods and molecular modeling technology are the main branches of the computational chemistry.
量子化学方法和分子模拟是计算化学的主要分支。
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。
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。
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。
In this paper, the recent applications of quantum chemistry principles in research of lithium ion batteries was reviewed.
本文综述了近年来量子化学原理在锂离子电池研究中的应用。
Some calculational techniques in quantum chemistry approaches of the excited states of small systems are discussed.
讨论了小分子激发态的量子化学计算中的一些技巧性的问题。
Metal-free indoline dyes for dye-sensitized solar cells were studied by employing quantum chemistry methods.
对于应用于无金属染料敏感太阳能电池的吲哚染料用量子化学方法进行研究。