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Sophomore chemistry major Kristin Alongi has published a paper on the hydroperoxy radical in the Journal of Physical Chemistry A. The article, "Exploration of Potential Energy Surfaces, Prediction of Atmospheric Concentrations, and Prediction of Vibrational Spectra for the HO2---(H2O)n (n=1-2) Hydrogen Bonded Complexes," reports on results of quantum chemical calculations on this important atmospheric molecule.

The hydroperoxy radical plays a critical role in Earth's atmospheric chemistry as a component of many important reactions, and is a key component in the formation of acid rain. The paper shows how the presence of water vapor accelerates reactions of hydroperoxy radicals, predicts the quantity of these molecules in the atmosphere, and predicts the infrared vibrations which could allow these complexes to be observed experimentally.

Alongi started this work last summer, and wrote the first draft of the paper last semester. Her research mentors, Visiting Professor of Chemistry Karl Kirschner and Winslow Professor of Chemistry George Shields, revised the paper prior to submission in December. The work was done in collaboration with Professor Ted Dibble, who is a faculty member in chemistry at the SUNY College of Environmental Science and Forestry.


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