Semi-empirical Molecular Orbital (MOPAC) Studies of Properties and Reactions of Organic and Inorganic Molecules

计算机和软件的出现，使得量子力学模型能够快速、廉价地应用于有机、无机和生物化学家感兴趣的大分子和系统。通过使用工作站和商业软件，本项目将使本科生在现有实验课程的框架内亲身接触计算模型和方法。该仪器和实验室改进奖来自化学仪器项目，将帮助威奇托州立大学化学系获得计算机设备，用于加强本科实验室教学。

Computers and software are emerging that allow quantum mechanical models to be rapidly and inexpensively applied to molecules and systems large enough to be of interest to organic, inorganic and biochemists. By the use of workstations and commercial software, this project will give undergraduate students hands-on exposure to computational models and methods within the framework of the existing laboratory curriculum. This Instrumentation and Laboratory Improvement award from the Chemical Instrumentation Program will help the Department of Chemistry at Wichita State University to acquire computer equipment that will be used to enhance undergraduate laboratory instruction.