CAREER: Theoretical Investigations of Changes in Photodissociation and Reaction Dynamics by Dimer and Small Cluster Formation

俄亥俄州立大学的Anne McCoy教授得到了理论和计算化学计划的职业资助，从理论上研究由几个原子组成的基本系统的光解离和反应动力学。通过用量子力学处理几个自由度，用经典的方法处理系统的其余部分，将发展出一种近似大系统量子效应的一般方法。这种方法将应用于一些有详细实验数据的系统。新的教育理念将被纳入本科生和研究生课程，包括在讲课和复习中的合作学习环境，以及通过课程主页利用万维网传播信息。通过在可与实验相比较的条件下探索光解离和反应动力学，在气相现象与凝聚相中更复杂的化学现象之间的联系上迈出了重要的一步。为了使化学与学生更相关，将积极鼓励他们思考概念及其含义，而不是具体的解决问题的技巧。

Professor Anne McCoy of Ohio State University is supported by a CAREER grant from the Theoretical and Computational Chemistry Program to examine theoretically the photodissociation and reaction dynamics of elementary systems composed of several atoms. A general approach will be developed to approximate the quantum effects of large systems by treating a few degrees of freedom quantum mechanically and the remainder of the system classically. This method will be applied to a number of systems where detailed experimental data exist. Novel educational ideas will be incorporated into undergraduate and graduate courses, including cooperative learning environments in lectures and recitations, and use of the world wide web for information dissemination via course homepages. By probing photodissociation and reaction dynamics under conditions where comparisons to experiments can be made, an important step is made in the connection between gas phase phenomena and more complicated chemistry occuring in the condensed phase. To make chemistry more relevant to students, they will be actively encouraged to think about concepts and their implications, rather than specific problem-solving techniques.