| 微扰理论及其应用研究进展 |
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| 引用本文： | 刘晓瑭,刘华鼐,孙命. 微扰理论及其应用研究进展[J]. 湛江师范学院学报, 2003, 24(6): 50-54,100 |
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| 作者姓名： | 刘晓瑭 刘华鼐 孙命 |
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| 作者单位： | 1. 湛江师范学院,生命科学与化学学院,广东,湛江,524048
2. 天津师范大学,化学与生命科学院,天津,300074 |
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| 摘 要： | 微扰理论是统计热力学中重要的方法体系，该文在简要说明微扰理论的基础上，重点概述了自由能微扰法应用于药物分子设计中的原理、方法等应用研究，同时扼要介绍了微扰理论在化学其它领域中的应用。
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| 关 键 词： | 统计热力学 自由能 微扰理论 药物分子设计 应用 研究进展 |
| 文章编号： | 1006-4702(2003)06-0050-05 |
Perturbation Theory and the Development of Its Application in Chemistry |
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| LIU Xiao-tang,LIU Hua-nai,SUN Ming. Perturbation Theory and the Development of Its Application in Chemistry[J]. Journal of Zhanjiang Normal College, 2003, 24(6): 50-54,100 |
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| Authors: | LIU Xiao-tang LIU Hua-nai SUN Ming |
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| Affiliation: | LIU Xiao-tang~1,LIU Hua-nai~2,SUN Ming~2 |
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| Abstract: | Statistical thermodynamics has developed rapidly in its principles, models and applications. It links the material's macro-properties with its micro-properties. Perturbation theory is an important part of statistical thermodynamics and plays an essential role in drug design and some dynamic properties calculation. The mechanisms of free energy perturbation method and their applications in drug molecular design are reviewed. At the same time, the applications of perturbation theory in other chemical fields are briefly introduced. |
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| Keywords: | statistical thermodynamics free energy perturbation theory development |
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