Gas-Phase Molecular DynamicsThe Gas-Phase Molecular Dynamics Program explores the energetics, dynamics and kinetics of chemical reactions resulting from molecular collisions in the gas phase. The goal of this work is a fundamental understanding of chemical processes related to combustion. We are interested in the microscopic factors affecting the structure, dynamics and reactivity of short-lived intermediates such as free radicals in gas-phase reactions. Molecular species are studied using both experimental and theoretical tools including high-resolution spectroscopic probes, velocity map imaging, time-of-flight mass spectrometry, ab initio electronic structure calculations and both time-dependent and time-independent quantum calculations of nuclear motion. The focus of the program has recently been broadened to include aspects of the chemical physics of catalysis, specifically chemical dynamics and kinetics at surfaces and on metal and metal-containing clusters, and the spectroscopy of metal-containing clusters. The synergy between the experimental and theoretical parts of the program cannot be overemphasized. The Gas-Phase Molecular Dynamics Program, is supported by the Chemical Physics Research Program of the Division of Chemical Sciences, Biosciences, and Geosciences of the Office of Basic Energy Sciences of the Office of Science under contract No. DE-AC02-98CH10886 with the U.S. Department of Energy. Learn more about the Gas-Phase Molecular Dynamics Group
Last Modified: January 31, 2008 |