化学学报 ›› 1990, Vol. 48 ›› Issue (11): 1071-1074. 上一篇    下一篇

研究论文

环糊精及其包络物的分子力学研究

吕天雄;张东波;董绍俊   

  1. 中国科学院电分析化学开放研究实验室
  • 发布日期:1990-11-15

Study on cyclodextrin and its inclusion complexes:molecular mechanical calculation

LU TIANXIONG;ZHANG DONGBO;DONG SHAOJUN   

  • Published:1990-11-15

本文用分子力学方法研究了环糊精及其包络物的性质, 探讨了包络过程及其驱动力, 与电化学实验结果对比获得一致性结伦。

关键词: 计算机应用, 环糊精, 包合物, 包络, 硝基苯酚, 分子力学

Several inclusion complexes of b-CD with nitrophenols, nitroanilines, or hydroxyphenols were studied by means of mol. mech. calculation The inclusion process and the driving force were discussed.

Key words: COMPUTER APPLICATIONS, CYCLODEXTRIN, CLATHRATES, ENVELOPMENT, NITROPHENOL, MOLECULAR MECHANICS

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