Intramolecular Dynamics of Organic Reactions

有机动力学计划的这笔赠款支持以下工作： 教授巴里K。他将评估 动态在结果中发挥作用的情况 一种反应。专门设计的分子将被合成 用于研究分子内能量的基本原理 转移，这将测试“统计”TST和RRKM模型。 超临界流体中的动力学控制反应将是 研究，以分析溶剂的影响， 分子动力学分子内动力学的矢量模型将 将评估和一个新的基于分子动力学的模型， 发展 %%% 在这个项目中，教授巴里K。卡彭特将评估 动态在一个国家的结果中发挥作用的情况 反应，这是非常重要的受大面积的 化学.有半个世纪历史的经典理论 通过精心设计的实验进行测试。结果可能会影响 在化学动力学理论的广阔领域，并可能改变 我们会考虑未来的反应动力学。

This grant from the Organic Dynamics Program supports the work of Professor Barry K. Carpenter at Cornell University who will assess the circumstances under which dynamics play a role in the outcome of a reaction. Specifically designed molecules will be synthesized for the study of the fundamentals of intramolecular energy transfer, which will test the `statistical' TST and RRKM models. Dynamically controlled reactions in supercritical fluids will be studied in order to analyze the components of solvent effects on molecular dynamics. A vector model for intramolecular dynamics will be evaluated and a new molecular dynamics-based model will be development. %%% In this project Professor Barry K. Carpenter will assess the circumstances under which dynamics play a role in the outcome of a reaction, which is highly significant subject to a large area of chemistry. Classical theories that are half a century old will be tested with carefully designed experiments. The results may impinge upon vast areas of chemical dynamics theory and may change the way we think about reaction dynamics in the future.