Visiting Professor of Chemistry Karl Kirschner and Winslow Professor of Chemistry George Shields and their students have published a paper in the International Journal of Quantum Chemistry.
The article, "CCSD(T), W1, and Other Model Chemistry Predictions for Gas-Phase Deprotonation Reactions," was co-authored by Goldwater Scholars Dan Griffith '07 and Matt Liptak '03, along with Frank Pickard '05. The paper compares different quantum mechanical approaches for estimating the energy required to remove a proton from a neutral molecule against the National Institutes of Technology's Chemistry WebBook database.
The work was started by Matt Liptak in 2002, developed by Dan Griffith over the summer of 2004 and the 2004-05 academic year, and finished by Frank Pickard this past year. Liptak is currently attending chemistry graduate school at the University of Wisconsin. Pickard, a Chemical Physics major, has started graduate school in Quantum Chemistry at the University of Georgia. Griffith is currently working in Professor Ian Rosenstein's laboratory, and plans to attend graduate school in organic chemistry.
