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

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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.