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Contributed by Jill Ackerman on 03/23/2014
Please join us for a talk with Matthew Sprague ‘05, NIST (Gaithersburg MD), entitled:
Quantum Chemistry and Thermochemistry of Atmospherically Important Reactions
Quantum chemistry uses the laws of quantum mechanics to determine fundamental properties of molecules and chemical reactions. We can determine molecular geometries; vibrational and electronic spectra; thermochemistry; and the dynamics, kinetics, and equilibria of chemical reactions. The results of these studies allow us to explain experimental findings and predict new chemical reactions or properties. In the first part of my talk, I will introduce some methods used in quantum chemistry.
Earth's atmosphere is considered a complex chemical reactor due to the presence of trace reactive species. Although these chemicals are present in concentrations of only parts per million, billion, or trillion, they govern the chemistry of ozone, smog, acid rain, and climate change. We must understand the fundamental properties of these species to aid atmospheric field measurements and improve environmental policy. In the second part of my talk, I apply the methods of quantum chemistry to examine reactions of atmospheric interest, including hydroperoxy self-reaction and ozonolysis of unsaturated hydrocarbons.
Tuesday, March 25th, CNS 206B @ 12:10 p.m.
Pizza and refreshments provided for $1. Please bring your own cup. Remember to reuse, reduce, recycle.
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