Molecular Modeling and Computational Chemistry in the Undergraduate Curriculum

本科课程中的分子建模与计算化学

• 批准号: 9750586
• 负责人: James Duncan
• 金额: $ 2.31万
• 依托单位: Lewis and Clark 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 1999-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9750586&HistoricalAwards=false
• 关键词: Molecular; Modeling; Computational; Chemistry; Undergraduate

This award equips a molecular modeling and computational facility that enhance lectures, conferences, laboratories, and homework assignments throughout the undergraduate chemistry curriculum: General Chemistry (Accelerated), Organic Chemistry, Physical Chemistry (Statistical Mechanics and Quantum Chemistry), Inorganic/Physical Chemistry Laboratory, Advanced Mechanistic Organic Chemistry, and Advanced Inorganic Chemistry. In these courses, calculations are carried out at one or more levels-semi-empirical and ab initio-depending on the course and the complexity of the problem. In addition, the facility is used for several research projects, involving collaboration between undergraduate students and faculty who have theoretical components to their research. *

该奖项配备了分子建模和计算设施，增强了整个本科化学课程的讲座，会议，实验室和家庭作业：普通化学（加速），有机化学，物理化学（统计力学和量子化学），无机/物理化学实验室，高级机械有机化学和高级无机化学。在这些课程中，根据课程和问题的复杂性，在一个或多个级别（半经验和从头算）进行计算。此外，该设施还用于几个研究项目，涉及本科生和教师之间的合作，他们的研究有理论组成部分。 *