Radical-Molecule Dynamics and Reactivity

Within the domain of chemical reactivity the objective of the research is to:

Determine the mechanism and predict the energetic and entropic barriers controlling the kinetics of reactions involving oxygen, nitrogen, hydrogen, halogen, sulfur and carbon radicals with associated molecules.

A combination of (a) experimental techniques (laser-induced fluorescence, high-resolution Fourier transform spectroscopy, atomic and molecular resonance fluorescence, mass spectroscopy, cavity ring down, discharge flow, etc.) to investigate molecular dynamics and kinetic behavior and (b) molecular orbital analysis (electronic structure calculations, avoided crossing, delocalized, ionic surfaces, etc.) are employed to address the objective. The strategy is to provide both a framework for understanding radical-molecule reactivity and a predictive capability that employs tractable basis sets.

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