Development And Trial of Computer Chemistry Education System in The Junior Course of University

计算机现在是化学研究中不可缺少的工具。利用计算机，我们可以可视化和预测分子的三维结构，计算和显示分子轨道等。为了向年轻学生展示化学的现代化，东京大学文理学院开设了“计算化学”课程。本课程介绍了分子模拟系统。本系统的结构如下：10台个人计算机与使用Windows3.1和unix服务器的机器通过校园网连接。作为分子建模软件，使用“CAChe”。该课程每年开设一个学期。主要内容包括：简单有机分子的结构与能量、饱和环状分子的构象与构象互变、金属配合物的结构、大分子的结构、二原子或三原子分子的分子轨道、π-分子轨道与Diels-Alder反应、分子轨道与电子光谱。在最后三堂课中，每个学生都以“自由研究”的方式学习自己的科目。许多学生报告说，化学对他们来说变得有趣。我相信这个项目的主要目标已经实现。

Computer is now an indispensable tool in chemical research. Use of computer enables us the visualization and prediction of three dimensional structure of molecules, the calculation and display of molecular orbitals, and so on. To show young students such a modern aspect of chemistry, a course of "computational chemistry" has been opened in the College of Arts and Sciences, The University of Tokyo. For this course, molecular modeling system has been introduced. The system is as follows : ten personal computers with the use of Windows 3.1 and unix server machines connected through the campus network. As molecular modeling software "CAChe" is used. The course is opened for one semester ever year. Following subjects were studied in the course : molecular structure and energy of simple organic molecules, molecular conformation and conformational interconversion of saturated cyclic molecules, structure of metal complexes, structure of macromolecules, molecular orbitals of two or three atomic molecules, pi-molecular orbitals and Diels-Alder reaction, molecular orbitals and electronic spectra. In the last three lectures, each students studied his own subjects as "free research". Many students reported that chemistry becomes interesting for them. I believe that the primary object of this project has been achieved.