Nathan DeYonker

Assistant Professor

(901) 678-2029
SM 411
Office Hours
4-6 Mon, 11-12 Tues/Wed, CCLC 11-12 Thurs
N J DeYonker

About Dr. Nathan DeYonker 


B. Sc. Chemistry, Minor in Astrophysics, 2001, University of Michigan, Ann Arbor, MI
Ph. D. Chemistry, 2005, University of Georgia, Athens, GA

Professional Experience

Assistant Professor, August 2016 - Present, Department of Chemistry, The University of Memphis, Memphis, TN
Research Scientist, July 2009 – August 2016, Department of Chemistry, The University of Memphis, Memphis, TN 
Director, Computational Research on Materials Institute at the University of Memphis (CROMIUM), August 2014 – Present
Postdoctoral Associate, July 2005 - July 2009, University of North Texas, Denton, TN

Campus Organizations

Faculty Advisor of the University of Memphis Chapter of the Student Members of the American Chemical Society (SM-ACS). January 2011 – present.


09/01/2019 - 08/31/2024; PI on "The Three R's: A Model-Building Toolkit for Rational, Reproducible, and Rigorous Computational Enzymology" from the National Science Foundation, IIBR-1846408.

04/01/2014 - 03/31/2016; co-PI will Prof. William Alexander on "RAPID: Computation of Accurate Binding Energies of Emerging Contaminants on Environmental and Infrastructural Interfaces" from the National Science Foundation, CBET-1435289.

Significant Recent Lab Publications

Dr. DeYonker's CV - updated 08/02/2020

Q. Cheng, N. J. DeYonker, “Acylation and Deacylation Mechanism and Kinetics of Penicillin G Reaction with Streptomyces R61 DD-peptidase”, J. Comp. Chem., 41, 1685 (2020), featured cover article 7/5/2020 issue.

T. J. Summers, B. P. Daniel, Q. Cheng, N. J. DeYonker, “Quantifying Protein Contact Networks through Interaction Energies”, J. Chem. Inf. Model., 59, 5034 (2019).

M. Torres, S. Khan, M. Duplanty, H. C. Lozano, T. J. Morris, T. Nguyen, Y. V. Rostovtsev, N. J. DeYonker, N. Mirsaleh-Kohan, “Raman and Infrared Studies of Platinum-Based Drugs:  Cisplatin, Carboplatin, Oxaliplatin, Nedaplatin and Heptaplatin”, J. Phys. Chem. A, 122, 6934 (2018).

T. J. Summers, Q. Cheng, N. J. DeYonker, “A Transition State ‘Trapped’? Modeling Biphenyl Torsional Rotation with a QM-cluster Model of Engineered Threonyl-tRNA Synthetase”, Org. Biomol. Chem., 16, 4090, (2018), featured cover article, 06/14/2018 issue.

T. P. Brewster, T. H. Nguyen, W. T. Eckenhoff, N. D. Schley, N. J. DeYonker, “Synthesis and Characterization of Heterobimetallic Iridium-Aluminum and Rhodium-Aluminum Complexes”, Inorg. Chem., 57, 1148 (2018).

Q. Cheng, R. C. Fortenberry, N. J. DeYonker, “Towards a Quantum Chemical Protocol for the Prediction of Rovibrational Spectroscopic Data for Transition Metal Molecules: Exploration of CuCN, CuOH, and CuCCH”, J. Chem. Phys., 147, 234104 (2017).

G. Liang, N. J. DeYonker, X. Zhao, C. E. Webster, “Reduction Potential in Transition Metal Containing Complexes: How expensive? For what accuracy”, J. Comp. Chem, 38, 2430 (2017).

S. D. Dickerson, N. J. DeYonker, "Gas Phase Electronic Structure of the 3d Metal Monoacetylides (MCCH, M = Sc .. Zn)", Int. J. Quantum. Chem., 117, 104 (2017), featured cover article, 01/15/2017 issue.


M. Fioroni, N. J. DeYonker, "H2 Formation on Cosmic Grain Siliceous Surfaces Grafted with Fe+: A Silsesquioxanes-based Computational Model", ChemPhysChem, 17, 3390 (2016).

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.

Research Interests