Theory of Solvation and Chemical Reaction Dynamics in Polar Media

极性介质中的溶剂化和化学反应动力学理论

• 批准号: 8808206
• 负责人: Branka Ladanyi
• 金额: $ 6万
• 依托单位: Colorado State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1988
• 资助国家: 美国
• 起止时间: 1988-07-01 至 1990-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8808206&HistoricalAwards=false
• 关键词: Theory; Solvation; Chemical; Reaction; Dynamics

This Research Opportunities for Women Career Advancement Award project is in the general area of Physical Chemistry in the subfield of Theoretical and Computational Chemistry. Recently Professor Ladanyi has been studying solution phase reaction dynamics in collaboration with Professor J. T. Hynes at the University of Colorado and Professor G. T. Evans at Oregan State University. Her contribution to these projects has mostly dealt with the application of integral equation approaches to evaluate the effects of equilibrium solvation on the reaction free energy surfaces. This award will allow her group to expand the scope of this research by applying computer simulation methods to the study of static and dynamic solvation and by developing and applying analytical dynamical models to the effects of non-equilibrium solvation on chemical reaction rates.

女性职业发展研究机会奖 该项目是在物理化学的一般领域， 理论和计算化学的一个子领域。 最近 Ladanyi教授一直在研究溶液相反应 动力学与J. T.海因斯在 科罗拉多大学教授G. T.埃文斯在俄勒冈州 州立大学。 她对这些项目的贡献 主要讲积分方程的应用 评价平衡溶剂化作用对 反应自由能表面。 这个奖项将使她 该小组利用计算机扩大了这项研究的范围 静态和动态溶剂化研究的模拟方法 并通过开发和应用分析动力学模型， 非平衡溶剂化对化学反应的影响 rates.