Intergrating Molecular Modeling into the Chemistry Curriculum at UNCW

该项目将以创新的方式将分子建模整合到现有的六门本科化学课程中，将建模结果与实验结果相结合，从而采用综合的方法解决问题。整合建模技术的过程将是渐进的，从低级课程的基本操作开始，在后续课程中添加更复杂的应用程序，直到学生能够执行一个小型研究项目，作为高级课程的一部分。在有机化学和微型计算机的化学应用中，将介绍建模的基本应用。在《高级有机化学》和《生化技术与仪器实验室》中，将逐步教授更复杂的应用，最终允许学生在高级《高级有机化学》和《药物化学》中进行小型研究项目。这些变化的影响将是让学生第一次看到最小能量构象的分子结构，计算构象的相对能量，测量原子和键之间的距离和角度，预测随后在实验室中进行的物理测量的结果，甚至预测化学反应的产物，他们将通过合成和随后的仪器分析来证实。学生将学习化学是如何在今天的化学和制药工业中真正完成的，使用基于发现的方法来学习，应该激发和维持学生对化学的兴趣。

The project will integrate molecular modeling into six existing undergraduate chemistry courses in an innovative way which consists of combining modeling results with laboratory results, thus using an integrated approach to problem solving. The process of integrating modeling techniques will be progressive, starting with basic operations in lower level courses, adding more sophisticated applications in subsequent courses, until the student is capable of carrying out a mini-research project as part of a senior level course. Fundamental applications of modeling will be introduced in Organic Chemistry and in Chemical Applications of Microcomputers.Progressively more sophisticated applications will be taught in Advanced Techniques of Organic Chemistry and Biochemical Techniques and Instrumentation Lab, ultimately allowing students to perform mini-research projects in the senior level Advanced Organic Chemistry and Medicinal Chemistry. The impact of these changes will be to allow students for the first time to visualize molecular structures in their minimum energy conformation, calculate the relative energies of conformers, measure distances and angles between atoms and bonds, predict the outcome of physical measurements made later in the laboratory, or even predict the product of a chemical reaction that they will confirm by synthesis and subsequent instrumental analysis. Students will learn how chemistry is really done today in the chemical and pharmaceutical industries, using a discovery based approach to learning that should stimulate and sustain students' interest in chemistry.