Frank G. Baglin, C. Brown, D. Buchannan, C. Yoon, and J. Kenyon. University of Nevada, Reno, NV
Recent projects in our group have included laboratory work on the fluroethanes(project A)and molecular dynamics work on the methane/perfluromethane(project B). The data collection on (A) is complete. Two different normal coordinate line shapes were examined from the probe (1,1,1-trifluroethane). The A mode from the C-H stretch and the A mode from the C-F stretch were recorded. Then a fast FT procedure was carried out and the time correlation functions were obtained from each signal. A discussion of early results will be presented. In the (B) system, the machine experiments using the CHARMM algorithim on 1000 enties is in the process of being carried out. A brief review of the experimental work leading up to the purpose of this calculation will be carried out. Some MD results may be available.
Back to Physical Chemistry, Molecular Dynamics, and Spectroscopy (Invited and Contributed Speakers)
Back to The 61st Northwest Regional Meeting (June 25 - 28, 2006)