Theoretical Studies in Chemical Kinetics and Related Problems

点击翻译按钮获取中文摘要

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.