Enhancing Chemistry Curricula through Molecular Modeling: A Multi-Campus Consortium Approach

化学(12)这个项目是由阿拉斯加大学系统的四个化学系共同努力的，目的是改善加州大学化学专业的学生接触现代计算化学工具的机会。这些地点的化学教师，包括费尔班克斯、安克雷奇、朱诺和马塔努斯卡-苏西特纳山谷的UA校区，确实有一些使用分子建模软件的经验。然而，这些小的化学系本身缺乏在教学环境中使用分子建模的经验，它们在其子学科中缺乏同事来讨论具体的分子建模问题，它们缺乏在整个系规模上安装必要的硬件和软件的财力和技术背景。因此，UA联盟成立，就如何解决特定的分子建模问题提供相互的技术支持，交流将分子建模纳入化学课程的想法和方法，并选择最好的硬件和软件安装在本科计算机实验室。PI确定了一个共同的硬件标准和HyperChem分子建模系统，以促进整个UA系统的通信。还通过建立一个网站(www.Hyperalaska.edu)促进交流，作为阿拉斯加化学教师或全国其他人关于分子建模的教学或研究应用的集中信息交流网站。加州大学化学学院正在以各种方式在他们的课程中采用分子建模方法。这些课程的目的是：(1)增强初级学生(Jones，ChemConf 96)对分子性的心理图景；(2)在选修特定学科的化学和(在某些情况下)生物课程的高年级学生之间建立统一的跨学科联系(Martin，J.Chem)。Ed.，75,241,1998)，以及(3)将计算化学结果与实验结果进行关键基准比较，例如在核磁共振、红外、热化学、层析、动力学或其他实验中获得的结果(Yarger，J.Chem.主编，74,243,1997；沃尔夫森，J.化学。艾德。73,1026,1996)。通过为学生提供新的学习动机，为学生提供一条新的学习概念途径，为学生和教师提供重要而有趣的学习目标，这里描述的全面分子建模有望显著加强化学学习。

Chemistry (12) This project is a joint effort by four chemistry departments in the University of Alaska system to improve the access of UA chemistry students to modern computational chemistry tools. Chemistry faculty at these sites, which include UA campuses at Fairbanks, Anchorage, Juneau, and the Matanuska-Susitna Valley, do have some experience using molecular modeling software. However, most of these small chemistry departments by themselves lack experience using molecular modeling in the teaching setting, they lack colleagues within their sub-disciplines to discuss specific molecular modeling issues, and they lack the financial resources and technical background to install the necessary hardware and software on a department-wide scale. Thus the UA consortium was formed to provide mutual technical support concerning how to solve specific molecular modeling problems, to exchange ideas and methods for incorporating molecular modeling in the chemistry curriculum, and to choose the best hardware and software for installation in undergraduate computer labs. The PIs settled on a common hardware standard and the HyperChem molecular modeling system to facilitate communication throughout the UA system. Communication also is fostered by setting up a Web site (www.hyperalaska.edu) as a centralized information exchange site for Alaska chemistry faculty, or others nationwide, regarding teaching or research applications of molecular modeling. UA chemistry faculty are adapting molecular modeling methods in their curricula in various ways. These are designed to: (1) enhance the mental picture of molecularity among introductory level students (Jones, ChemConf 96), (2) create unifying cross-disciplinary connections among upper division students enrolled in discipline-specific chemistry and (in some cases) biology classes (Martin, J. Chem. Ed., 75, 241, 1998), and (3) critically benchmark computational chemistry results against experimental results, such as those obtained in NMR, IR, thermochemical, chromatographic, kinetic or other experiments (Yarger, J. Chem. Ed., 74, 243, 1997; Wolfson, J. Chem. Ed. 73, 1026, 1996). The across-the-board implementation of molecular modeling described here is expected to significantly strengthen chemistry learning by providing new motivation for students to undertake learning, a new conceptual route to learning, and significant and interesting learning goals for both students and teachers.