Development of Undergraduate Curriculum Through Computer Based Molecular Modeling

化学和物理系正在通过建立基于计算机的分子模拟实验室计划来提高本科化学课程的质量。实验室开发利用收购的硬件和软件给学生的化学原理的图形表示。这种动手的方法使学生对迄今为止只在学生头脑中可视化的概念有更好的感觉。化学入门课程的学生进行实验来研究化学键合、分子振动、温室效应、分子几何优化和生化大分子（蛋白质和核酸）结构可视化。有机化学专业的学生进行实验，将能量和反应性与几何学联系起来。物理化学专业的学生进行实验，发展不同层次的理论，并将物理性质与电子电荷分布或几何变化联系起来。生物化学课的学生进行分子系统的几何计算和操作，以预测生物活性。进行高级研究项目的学生应用分子建模原理来研究特定的研究问题。 该计划证明了分子建模方法可以成功地纳入各级本科课程的全部程度。

The Department of Chemistry and Physics is improving the quality of the undergraduate chemistry curriculum through the establishment of a computer-based molecular modeling laboratory program. Laboratories developed to utilize the acquired hardware and software give students graphical representations of chemical principles. This hands-on approach gives students a better feel for concepts that have heretofore been visualized only in the minds of students. Students in the introductory chemistry courses conduct experiments to examine chemical bonding, molecular vibrations, the greenhouse effect, molecular geometry optimization, and biochemical macromolecular (protein and nucleic acids) structure visualization. Organic chemistry students conduct experiments to relate energy and reactivity to geometry. Physical chemistry students perform experiments developing various levels of theory and relate physical properties to electronic charge distribution or changes in geometry. Students in the biochemistry class perform geometrical calculations and manipulations on molecular systems to predict biological activity. Students conducting senior research projects apply molecular modeling principles to examine specific research problems. This program exemplifies the full extent to which molecular modeling methodology can be successfully incorporated into undergraduate programs at all levels.