Carrigan Hayes, Ph.D.
Assistant Professor, Physical Chemistry
Science Building 315
- B.S., Ohio Northern University, 2002
- Ph.D., The Ohio State University, 2007
Research & Teaching Interests
- Computational chemistry
- Physical organic chemistry
- Science writing
- “Computational Modeling of Human Paraoxonase 1: Preparation of Protein Models, Binding Studies, and Mechanistic Insights.” T. T. Sanan, S. Muthukrishnan, J. M. Beck, P. Tao, C. J. Hayes, T. C. Otto, D. M. Cerasoli, D. E. Lenz, C. M. Hadad. J. Phys. Org. Chem. 2010, 23, 357 – 369
- “Isomerization Barriers in Hydrocarbon and Functionalized Radicals, as Predicted by Composite Ab Initio Methods.” C. J. Hayes and D. R. Burgess, Jr. Proc. 6th Nat. (U. S.) Comb. Mtg, 2009
- “Combustion Pathways of the Alkylated Heteroaromatics: Bond Dissociation Enthalpies and Alkyl Group Fragmentations.” C. J. Hayes and C. M. Hadad. J. Phys. Chem. A 2009, 113, 12370-12379
- "Kinetic Barriers of H Atom Transfer Reactions in Alkyl, Allylic, and Oxoallylic Radicals, as Calculated by Composite Ab Initio Methods." C.J. Hayes and D.R. Burgess, Jr. J. Phys. Chem. A 2009, 113, 2473–2482
- “Chemistry of Reactive Radical Intermediates of Combustion and Atmospheric Reactions.” C. J. Hayes; J. K. Merle; C. M. Hadad. Adv. Phys. Org. Chem. 2009, 43, 79-126
- “Exploring the Oxidative Decompositions of Methyl Esters: Methyl Butanoate and Methyl Pentanoate as Model Compounds for Biodiesel.” C. J. Hayes and D. R. Burgess, Jr. Proc. Combust. Inst. 2009, 32, 263-270
- “Spectroscopic and Computational Studies of the Solvation of n-Octanol and Ethanol.” L. M. Levering, C. J. Hayes, K. Callahan, C. M. Hadad, and H. C. Allen, J. Phys. Chem. B 2006, 110, 6325 – 6331
- “Computational Investigations into the Conformations and Unimolecular Decomposition of 1-Propylperoxy Radical.” J. K. Merle, C. J. Hayes, S. J. Zalyubovsky, T. A. Miller, and C. M. Hadad, J. Phys. Chem. A 2005, 109, 3637 - 3646
- “Observation of the A-X Electronic Transition of the 1-C3H7O2 and 2- C3H7O2 Radicals Using Cavity Ringdown Spectroscopy.” S. J. Zalyubovsky, B. G. Glover, C. J. Hayes, J. K. Merle, C. M. Hadad, and T.A. Miller, J. Phys. Chem. A 2005, 109, 1308 - 1315.
Affiliations & Awards
- National Research Council/National Institute of Standards and Technology (NRC/NIST) Postdoctoral Fellowship (2007-2009)
- American Chemical Society; Ohio Academy of Science
Carrie joined the Otterbein faculty in Fall 2009; she currently teaches General and Physical Chemistry. Carrie graduated from Ohio Northern University in 2002, earning a B.S. in Chemistry and English. She completed her Ph.D. in Chemistry at The Ohio State University in 2007. From 2007-2009, Carrie worked as a postdoctoral researcher in the Computational Chemistry Group at the National Institute of Standards and Technology, in Gaithersburg, MD.
Carrie uses computational chemistry to explore a wide variety of chemical reactions with implications for organic, biological, and environmental chemistry. Additionally, she has interests in scientific writing and editing. Carrie is a member of the American Chemical Society.