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项目的职业资助，以从理论上研究由多个原子组成的基本系统的光解离和反应动力学。 将开发一种通用方法，通过量子力学处理几个自由度和经典系统的其余部分来近似大型系统的量子效应。 该方法将应用于许多存在详细实验数据的系统。 新颖的教育理念将融入本科生和研究生课程，包括讲座和背诵中的合作学习环境，以及利用万维网通过课程主页传播信息。 通过在可以与实验进行比较的条件下探测光解离和反应动力学，在气相现象和凝聚相中发生的更复杂的化学之间的联系方面迈出了重要的一步。 为了使化学与学生更相关，我们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.