...方法(Quantum Dynamics)，静电学方法(Electrostatics)，量子力学方法(Quantum Mechanics)，计算化学方法(Computational Alchemy)，对接术(D Mechanics)，计算化学方法(Computational Alchemy)，对接术(D ocking)，从头设计法(De ocking)，从头设计法(De Novo ...
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... computational physics and chemistry 计算物理 method of computational chemistry 计算化学方法 Computational chemistry and biology 计算化学与生物学 ...
基于6个网页-相关网页
量子化学计算方法 Quantum Chemistry
计算化学中的拓扑方法 Topological Methods in Computational Chemistry
计算化学研究方法 the research methods of calculational chemistry
本论文应用理论与计算化学方法较系统地研究了硝胺类高能材料的分子间相互作用。
In this thesis, theoretical and computational chemical methods are used to study the intermolecular interactions in the high energy materials of nitramine compounds.
随着计算化学方法不断完善和计算机技术迅猛发展，计算化学在化学研究中占有越来越重要的地位。
Along with the perfect of computational methods and the rapid development of computer technology, computational chemistry had become more and more important in modern chemistry.
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。
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.
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