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基于量子化学计算的乙烷构象教学改革

         

摘要

乙烷及乙烷衍生物的构象是有机化学教学中的一个重点和难点,且利用传统的粉笔+黑板或者多媒体的教学手段很难形象的展示出其动态的平面结构和立体结构。本文利用量子化学Gaussian 09 Revision-D.01软件对乙烷及其衍生物的各种构象及能量等进行扫描计算,并用GaussView 5.0.9软件对其结果进行可视化分析并制作动画。通过结合多种量化软件和教学手段,可以将抽象的知识形象化,实现理论与实践的结合、教与学互动,从而培养学生的立体感,提高课堂的教学效果和学生的学习能力。%The conformations of ethylene and ethane derivatives are the key and difficulty in the teaching of organic chemistry and it is difficult to display their dynamic plane and stereoscopic structure by the traditional chalk and blackboard or multimedia teaching means. The conformations and energies of the ethane and their derivatives were calculated by the Gaussian 09 Revision-D. 01 software and their results of the animations were displayed and analyzed by the GaussView 5. 0. 9 software. Combination of the various calculation and a variety of teaching methods, can lead the abstract knowledge to visualization, realize the combination of theory and practice, teaching and learning. The sense of three-dimensional of students was developed. In addition, the teaching effects of the course and the learning abilities of students were improved.

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