Recent Publications

Dr. DeYonker's CV - updated 9/26/16

N. J. DeYonker, K. C. Charbonnet, W. A. Alexander, "Dipole moments of trans- and cis-(4-methylcyclohexyl)methanol (4-MCHM): obtaining the right conformer for the right reason", Phys. Chem. Chem. Phys., 18, 17856 (2016).

N. J. DeYonker, C. E. Webster, "A Theoretical Study of Phosphoryl Transfers of Tyrosyl-DNA Phosphodiesterase I (Tdp1) and the Possibility of a "Dead-End" Phosphohistidine Intermediate", Biochemistry, 54, 4236 (2015).

A. M. Dietrich, A. Thomas, Y. Zhao, E. Smiley, N. Shanaiah, M. Ahart, K. A. Charbonnet, N. J. DeYonker, W. A. Alexander, D. L. Gallagher, "Partitioning, Aqueous Solubility, and Dipole Moment Data for cis- and trans-(4-methylcyclohexyl)methanol, Principle Contaminants of the West Virginia Chemical Spill", Environ. Sci. Technol. Lett., 2, 127 (2015), featured cover article, 04/14/2015 issue.

N. J. DeYonker, "What a Difference a Decade Has Not Made: The Murky Electronic Structure of Iron Monocyanide (FeCN) and Iron Monoisocyanide (FeNC)", J. Phys. Chem. A, 119, 215 (2015).

N. J. DeYonker, D. T. Halfen, W. D. Allen, L. M. Ziurys, "The Electronic Structure of Vanadium Monochloride Cation (VCl+): Tackling the Complexities of Transition Metal Species", J. Chem. Phys., 141, 204302 (2014).

N. J. DeYonker and S. A. Shah, "The Role of Core/Valence Electron Correlation in Gallium Halides: A Comparison of Composite Methods", Theor. Chem. Acc., 133, 1518 (2014).