Intergrating Molecular Modeling into the Chemistry Curriculum at UNCW

将分子建模融入北卡罗来纳大学化学课程

• 批准号: 9351758
• 负责人: Ned Martin
• 金额: $ 2.77万
• 依托单位: University of North Carolina at Wilmington
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-05-01 至 1995-10-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9351758&HistoricalAwards=false
• 关键词: Intergrating; Molecular; Modeling; into; Chemistry

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.

该项目将分子建模整合到现有的六个 本科化学课程的创新方式， 包括将模拟结果与实验室结果相结合， 从而使用综合方法来解决问题。的 集成建模技术的过程将是渐进的， 从低层次课程的基本操作开始， 更复杂的应用，直到 学生能够进行小型研究项目 作为高级课程的一部分。 基本应用 建模将在有机化学和 微型计算机在化学中的应用 高级课程将教授复杂的应用程序 有机化学与生物化学技术及 仪器实验室，最终让学生执行 高级有机的微型研究项目 化学与药物化学这些变化的影响 是让学生们第一次想象 最低能量构象的分子结构， 计算构象异构体的相对能量，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， 将通过合成和随后的仪器分析证实。 学生将学习如何化学是真正做今天在 化学和制药行业，使用基于发现的 学习的方法，应该激励和维持 学生对化学的兴趣。