Semi-empirical quantum chemistry method 半经验量子化学方法
Multi-reference quantum chemistry method 多参考量子化学方法
quantum chemistry calculation method 量化计算方法
method of quantum chemistry 量子化学计算方法
Quantum chemistry method is used to study the reactivity of the methanol dehydration.
用量子化学方法，研究甲醇脱水的反应性。
The results are first elucidated by model cluster method and computational quantum chemistry method.
上述结果首次用模型簇和计算量子化学方法进行了解释。
In the second chapter, some computational methods including quantum chemistry method, Molecular Mechanics, Molecular Dynamic simulation, Monte Carlo method and so on, were briefly reviewed.
在第二章中，简要介绍了常用的计算化学方法，主要包括量子化学方法、分子力学、分子动力学和蒙特卡罗等方法。
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