Tracy P. Hamilton

Associate Professor, Theoretical Chemistry


Associate Professor (b. 1958), received his B.S. Degree from the University of Arkansas at Little Rock in 1980. After two years of graduate study and one year in a consulting laboratory, he worked with Peter Pulay in quantum chemistry at the University of Arkansas in Fayetteville, obtaining his Ph.D. in 1987. He then enjoyed a four-year stint doing further research in quantum chemistry with Henry F. Schaefer III at the University of Georgia. Dr. Hamilton joined the Department of Chemistry at UAB in 1991.

Research Interests:

Our research involves the development of theoretical methods to study chemical systems by quantum mechanics, with an emphasis on techniques for studying larger molecules. Our research also includes the application of these methods to chemical systems. One example is the peroxynitrite molecule, which results from the reaction of nitric oxide (NO) with superoxide (O2 ). Peroxynitrite is a powerful oxidant that is implicated as causing damage in many pathological disease states. We have made exhaustive predictions of the vibrational spectroscopy of peroxynitrite and its salts, the UV- visible electronic spectrum, the NMR shifts, the energetics, and the reactions of peroxynitrite with other molecules such as carbon dioxide. Dr. Hamilton is also a member of the Center for Free Radical Biology Well, that concludes the standard description. If you have not been bored by the description, or repulsed by the photo, the following is a more detailed explanation of recent research projects, to give you an idea of what we are doing and what group members are up to. I also hope to make it visually more interesting in the future.

Extensive Collaboration with: and numerous others to a lesser extent. Most show up in the publication list.

Recent Publications:

Bryan D. Cox, Donald D. Muccio and Tracy P. Hamilton, “Conformational Analysis of Retinoic Acids: Effects of Steric Interactions on Nonplanar Conjugated Polyenes”, Computational and Theoretical Chemistry, 1011, 11-20 (May 2013).

“Polymorphism in Paracetamol: Evidence of Additional Forms IV and V at High Pressure”, Matthew M. Bishop, Spencer J. Smith, Jeffrey M. Montgomery, Tracy P. Hamilton and Yogesh K. Vohra, Journal of Physical Chemistry A, submitted Nov 2013.

Zhao, Q., Freeman, J.L, Wang, J., Zhang, Y., Hamilton, T.P., Lawson, C.M, and Gray, G.M., “Syntheses, X-ray crystal structures and optical, fluorescence and nonlinear optical characterizations of diphenylphosphino-substituted bithiophenes”. Inorganic Chemistry 51, 2016-2030 (February 2012).

"Methods for Predicting the Physical Properties of Peroxynitrite by Quantum Mechanics", Tracy P. Hamilton, Hui-Hsu Tsai and Joseph S. Beckman (invited book chapter), Methods in Enzymology, Vol. 269, 329 (1996).

"A Comparison of Ab Initio and Density Functional Theory for Alkali Peroxynitrite - A Highly Correlated System with Hartree-Fock Instability", Hui-Hsu Tsai, Tracy P. Hamilton, Jyh-Hsin M. Tsai, Joseph G. Harrison, and Joseph S. Beckman, J. Phys. Chem.100, 6942 (1996).

"An Ab Initio Study of Peroxynitrite and Peroxynitrous Acid: Important Biological Oxidants", Hui-Hsu Tsai, Tracy P. Hamilton, Jyh-Hsin M. Tsai, Mark van der Woerd, Joseph G. Harrison, Michael J. Jablonsky, Wim Koppenol and Joseph S. Beckman, J. Phys. Chem. 100, 15087 (1996).

"Carbene Rearrangements Unsurpassed: The C7H6 Potential Energy Surface Revealed", Peter. R. Scheiner, William L. Karney, Paul v. R. Schleyer, Weston T. Borden, Tracy P. Hamilton and Henry F. Schaefer, J. Org. Chem. 61, 7030-7039 (1996). Here is a pretty picture:

"An Ab Initio Study of Pernitric acid: Comparison With Experimental Spectra", Zhi Chen and Tracy P. Hamilton, J. Phys. Chem. 100, 15731-15734 (1996).

"Multiply Bonded Al-N Compounds and Their Dimerization", Tracy P. Hamilton and Adam W. Shaikh, Inorg. Chem. 36, 754-755 (1997).

"Stability of Hyperlithiated Borides", Kiet A. Nguyen, G. Naga Srinivas, Tracy P. Hamilton and Koop Lammertsma, J. Phys. Chem. A, 103, 710-715 (1999).

"Theoretical Studies on B2Lin (n=1-4)", G. Naga Srinivas,Tracy P. Hamilton and Koop Lammertsma, submitted to J. Phys. Chem. A.

"Ab Initio Calculation of the Heats of Formation of Nitrosamides: Comparison with Nitramides", Zhi Chen and Tracy P. Hamilton, J. Phys. Chem A, in press.

"Will an eta3-Si3H3 Ligand Form Sandwich Compounds With Main Group Elements?", G. N. Srinivas, Tracy P. Hamilton, E. D. Jemmis, M. L. McKee, and K. Lammertsma, J. Amer. Chem. Soc. (in press).

"Ab Initio Studies of Group III - Group V Ethene Analogues", invited book chapter in Computational Inorganic Chemistry.