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Collaborative Computational Chemistry Projects in Physical Chemistry

物理化学中的协作计算化学项目

基本信息

批准号：
9751605
负责人：
David Whisnant
金额：
$ 3.06万
依托单位：
University of South Carolina at Columbia
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：
1997-08-01 至 1999-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=9751605&HistoricalAwards=false
关键词：
Collaborative Computational Chemistry Projects Physical

项目摘要

The goal of our project is to develop a set of collaborative laboratory projects involving students from the physical chemistry classes of three colleges (Wofford College, Converse College, and the University of South Carolina at Spartanburg). Most of the projects involve computational chemistry (molecular mechanics and semi-empirical or ab initio MO theory) giving the students valuable experience with the applications and limitations of modern com-putational investigations. The students are collaborating via an E-mail listserver and a set of World Wide Web pages, so they also are being introduced to important Internet tools. This project has a significant effect on our three colleges, because the collaboration converts our small classes, in which there are only a limited number of classmates with whom to interact, into a larger learning community. The computational chemistry experiments also are giving students experience with what are becoming important laboratory tools. The project will have an impact beyond our departments because it is an example of how small departments can become stronger by sharing resources. It is resulting in several WWW pages containing hypermedia-based information on computational chemistry aimed for undergraduates in a junior-level physical chemistry class. It also is resulting in a set of new computational experiments that can be used either as individual experiments or collaborative projects. *

我们的项目的目标是开发一套合作实验室项目，涉及三个学院（沃夫福德学院，匡威学院，南卡罗来纳州大学斯帕坦堡）的物理化学类的学生。大多数项目涉及计算化学（分子力学和半经验或从头MO理论），为学生提供现代计算研究的应用和局限性的宝贵经验。学生们通过一个电子邮件列表服务器和一组万维网网页进行合作，因此他们也被介绍给重要的互联网工具。这个项目对我们的三个学院产生了重大影响，因为合作将我们的小班，其中只有有限数量的同学与他们互动，变成一个更大的学习社区。计算化学实验也给学生的经验，什么是成为重要的实验室工具。该项目的影响将超出我们的部门，因为它是一个小部门如何通过共享资源变得更强大的例子。它导致了几个万维网网页包含超媒体为基础的信息计算化学针对本科生在初级物理化学类。它还产生了一系列新的计算实验，可以用作个人实验或合作项目。 *