Implementation of Computational Chemistry throughout the Chemistry Curriculum

点击翻译按钮获取中文摘要

The Department of Chemistry is purchasing computing equipment and software to incorporate computational chemistry throughout the undergraduate curriculum. General chemistry students are using the workstations to examine bonding and structure of simple molecules, while in organic chemistry the energy differences between the various possible molecular conformations are calculated calculated. The equipment is used in physical chemistry to study ab-initio and semi-empirical methods. Expansion of the types of projects available to students for independent study is also occuring as a result of the increased computional capabilities.