Theoretical Studies in Chemical Kinetics and Related Problems

化学动力学及相关问题的理论研究

• 批准号: 9021195
• 负责人: Rudolph Marcus
• 金额: $ 45万
• 依托单位: California Institute of Technology
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1991
• 资助国家: 美国
• 起止时间: 1991-02-01 至 1997-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9021195&HistoricalAwards=false
• 关键词: Theoretical; Studies; Chemical; Kinetics; Related

Professor Marcus is supported by a grant from the Theoretical and Computational Chemistry Program to perform theoretical studies of chemical kinetics. This research will provide a more detailed understanding of various dynamical effects which occur in the broad areas of electron and proton transfer reactions, intramolecular dynamics, and unimolecular processes. Professor Marcus intends to study a variety of theoretical problems in chemical kinetics and related areas. These include unimolecular reactions, electron and proton transfer reactions, and intramolecular dynamics. The unimolecular reactions will involve the study of vibrational-rotational quantum state-to-state reactivities for various molecules. The electron transfers studied will include electron transfers at semiconductor-liquid interfaces and electron transfers in various protein systems. In the area of intramolecular dynamics, the high-resolution and time-resolved vibronic spectra in the quantum beats and in the "dissipative" regimes will be investigated. The proton transfer studies at low and high energies will be related to the studies of intramolecular dynamics in the two regimes on one hand, and to concepts used in electron transfer on the other.

马库斯教授得到了理论研究基金会的资助。 和计算化学程序，以执行理论 化学动力学的研究。 这项研究将提供一个 更详细地了解各种动力学效应， 发生在电子和质子转移的广泛领域 反应、分子内动力学和单分子过程。 马库斯教授打算研究各种理论 化学动力学及相关领域的问题。 这些包括 单分子反应，电子和质子转移反应， 和分子内动力学。 单分子反应将 涉及振动-转动量子的研究 各种分子的状态间反应性。 的 电子转移研究将包括电子转移， 电子-液体界面和电子转移 各种蛋白质系统。 在分子内 动力学，高分辨率和时间分辨的振动 在量子拍频和“耗散”状态下的光谱 将进行调查。 质子转移研究在低， 高能量将与分子内的研究有关 一方面，两种制度的动态，另一方面， 另一方面是电子转移。