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化学进展 1999

分子间相互作用的量子化学研究方法*

朱维良,蒋华良,陈凯先,嵇汝运

Keywords: 分子间相互作用,超分子,量子化学

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Abstract:

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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