| 分子间相互作用的量子化学研究方法 |
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| 引用本文： | 朱维良,蒋华良,陈凯先,嵇汝运,曹阳.分子间相互作用的量子化学研究方法[J].化学进展,1999,11(3):247-253. |
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| 作者姓名： | 朱维良 蒋华良 陈凯先 嵇汝运 曹阳 |
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| 作者单位： | 1. 中国科学院上海药物研究所,上海,200031
2. 苏州大学化学系,苏州,215006 |
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| 基金项目： | 国家杰出人才基金,“863”高科技项目基金 |
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| 摘 要： | 分子间相互作用是一类十分重要的作用, 这类作用的实验和理论研究越来越受到化学家、生物学家、材料科学家等的重视。本文综述了这种相互作用的量子化学研究现状和特点, 主要集中于常见的3 种量子化学方法。并对该领域的研究前景作了展望。
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| 关 键 词： | 分子间相互作用 超分子 量子化学 |
| 收稿时间： | 1998-08-01 |
| 修稿时间： | 1998-12-01 |
Quantum Chemistry Calculation Methods of the Intermolecular Interactions |
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| Zhu Weiliang,Jiang Hualiang,Chen Kaixian,Ji Ruyun,Cao Yang.Quantum Chemistry Calculation Methods of the Intermolecular Interactions[J].Progress in Chemistry,1999,11(3):247-253. |
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| Authors: | Zhu Weiliang Jiang Hualiang Chen Kaixian Ji Ruyun Cao Yang |
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| Institution: | (State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica,Chinese Academy of Sciences, Shanghai 200031, China; Department of Chemistry, Suzhou University, Suzhou 215006) |
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| Abstract: | The intermolecular interaction is of importance in chemistry, biology and materials science. Chemists, biologists, materials scientists now pay more attention to the experimental and theoretical investigations of this kind of interaction. In this review, the characteristics and features of the investigation for intermolecular interactions were introduced, mainly focusing on three practical computational methods, and a perspective in this research field was also discussed. |
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| Keywords: | intermolecular interactions supermolecules quantum chemistry |
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