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

计算机和软件正在出现， 机械模型，以快速和廉价地应用于 分子和系统足够大， 有机、无机和生物化学家。 通过使用工作站 和商业软件，该项目将为本科生提供 学生动手接触计算模型和方法 在现有的实验室课程框架内。 该仪器和实验室改进奖由 化学仪器计划将帮助部门 化学在威奇托州立大学获得计算机 将用于增强本科生实验室的设备 指导。

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.