Computers and Spectroscopy: An Integrated Laboratory Approach

计算机和光谱学：综合实验室方法

• 批准号: 8950987
• 负责人: Richard MacPhail
• 金额: $ 5.37万
• 依托单位: Duke University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1989
• 资助国家: 美国
• 起止时间: 1989-10-01 至 1991-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8950987&HistoricalAwards=false
• 关键词: Computers; Spectroscopy; Integrated; Laboratory; Approach

This project will develop an advanced physical chemistry laboratory which will expose students to a modern computer-based approach to spectroscopy and molecular modeling. The experiments are designed to illustrate the close interaction between experiment, theory and simulation that characterizes modern physical chemistry. The experiments are centered about three instruments -- a Fourier transform infrared (FTIR) spectrometer, a laser, and a differential scanning calorimeter. These instruments will be used to investigate the response of carefully chosen systems to electromagnetic radiation or heat, and the results of each measurement will be compared with those simulated by the computer on the basis of molecular models. This Instrumentation and Laboratory Improvement (ILI) award from the Chemical Instrumentation Program will help the Department of Chemistry at Duke University to acquire spectroscopic, calorimetric and computer equipment that will be used to enhance undergraduate laboratory instruction.

该项目将开发一种先进的物理化学 实验室，这将使学生接触到现代 基于计算机的光谱学和分子建模方法。 这些实验旨在说明 实验、理论和模拟之间相互作用， 是现代物理化学的特征。 了实验 围绕着三个工具--傅里叶变换 红外（FTIR）光谱仪、激光器和差分光谱仪。 扫描量热计 这些工具将用于 调查精心挑选的系统对以下问题的反应： 电磁辐射或热，以及每个的结果 测量结果将与模拟结果进行比较， 基于分子模型的计算机。 仪器和实验室改进（ILI）奖 化学仪表计划将有助于 杜克大学化学系获得 光谱、量热和计算机设备， 用于加强本科生实验室教学。