The Introduction of Molecular Modeling into the Two-Year College Chemistry Curriculum

分子建模在两年制大学化学课程中的引入

• 批准号: 9751067
• 负责人: Iraj Nejad
• 金额: $ 4.47万
• 依托单位: Mount San Antonio College
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1997
• 资助国家: 美国
• 起止时间: 1997-09-01 至 2000-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9751067&HistoricalAwards=false
• 关键词: Introduction; Molecular; Modeling; into; Two

The concepts of molecular bonding, electronic structure, molecular orbitals, and intermolecular and intramolecular interactions are fundamental to all areas of chemistry. Although these concepts have been covered at several levels of sophistication in various chemistry courses, they have not been well understood by the majority of students. The problem that students have had with understanding these concepts arises from the difficult task of visualizing these concepts in the microscopic world of atoms and molecules. Recent advances in molecular modeling, computational chemistry, and 3-D visualization software provide an exciting opportunity to more effectively teach these critical concepts in an innovative way. These advances, coupled with relatively powerful and affordable computer workstations, and superb graphic software and hardware, make this approach viable. For years, molecular modeling has played a significant role in chemical and pharmaceutical designs in both industry and graduate-level researah. Now is the time to incorporate molecular modeling into the undergraduate curriculum to help students better comprehend critical structural concepts. To achieve this goal, the department is purchasing 14 computers and one SGI workstation, which can be interconnected and can support SPARTAN software. This new facility is enabling chemistry faculty to teach molecular modeling and computational chemistry to students in a meaningful way, and it is enabling students to visualize a number of fundamental microscopic concepts that are important to the macroscopic properties of materials.

分子键、电子结构、分子轨道、分子间和分子内相互作用的概念是化学所有领域的基础。 虽然这些概念已经涵盖在各种化学课程的复杂程度，他们还没有得到很好的理解，大多数学生。 学生理解这些概念的问题来自于在原子和分子的微观世界中可视化这些概念的困难任务。 分子建模，计算化学和三维可视化软件的最新进展提供了一个令人兴奋的机会，以创新的方式更有效地教授这些关键概念。这些进步，加上相对强大和负担得起的计算机工作站，以及一流的图形软件和硬件，使这种方法可行。 多年来，分子建模在工业和研究生水平的研究中的化学和药物设计中发挥了重要作用。 现在是时候将分子建模纳入本科课程，以帮助学生更好地理解关键的结构概念。 为达到这个目标，该部门正在购买14台计算机和一个SGI工作站，这些计算机和工作站可以相互连接，并可以支持SPARTAN软件。 这一新设施使化学教师能够以有意义的方式向学生教授分子建模和计算化学，并使学生能够可视化一些对材料宏观性质很重要的基本微观概念。