Integration of Computer Modeling Throughout the Chemistry Curriculum

将计算机建模整合到整个化学课程中

• 批准号: 9551385
• 负责人: Joseph Young
• 金额: $ 5万
• 依托单位: Chicago State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1995
• 资助国家: 美国
• 起止时间: 1995-08-01 至 1997-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9551385&HistoricalAwards=false
• 关键词: Integration; Computer; Modeling; Throughout; Chemistry

This project provides equipment for a computer facility for teaching computational chemistry and molecular modeling. Advances in computer technology and software in the last decade have made molecular modeling an indispensable tool for the chemist and have made it possible to introduce the subject into the undergraduate curriculum. The computer facility teaches students molecular modeling techniques through a progression of activities integrated into all major courses of the chemistry curriculum. These courses are General Chemistry, Organic Chemistry, Biochemistry, Physical Chemistry, Polymer Chemistry, Instrumental Analysis, and Computational Modeling. Students learn to (1) correlate molecular properties with electronic structure, (2) visualize molecules in three dimensions, (3) search databases, (4) simulate molecular movements, (5) compute ground state geometries, (6) correlate computed and observed properties, (7) discover structure-activity relationships, and (8) compute electronic structures. The computer facility is equipped with 20 CAChe Modeling Systems and Power Mac 6100 computers. Additional equipment includes two stereo viewing monitors and a high-resolution color laser printer.

本计画提供一套电脑设备，以供教学计算化学及分子模拟之用。 在过去的十年里，计算机技术和软件的进步使分子模拟成为化学家不可或缺的工具，并使其有可能引入本科课程。 计算机设施通过整合到化学课程的所有主要课程的活动进展教学生分子建模技术。 这些课程是普通化学，有机化学，生物化学，物理化学，高分子化学，仪器分析和计算建模。 学生学习（1）将分子性质与电子结构相关联，（2）在三维空间中可视化分子，（3）搜索数据库，（4）模拟分子运动，（5）计算基态几何形状，（6）将计算和观察到的性质相关联，（7）发现结构-活性关系，以及（8）计算电子结构。 计算机设施配备了20台CAChe建模系统和Power Mac 6100计算机。 其他设备包括两个立体观察监视器和一个高分辨率彩色激光打印机。