Chemistry Department

Dr. Preston J. MacDougall

Dr. Preston J. MacDougall CONTACT INFO:


Phone: (615)
Office: New Science Building (SCI), Room 3051 
P.O. Box : X101


((1994) Ph.D., McMaster University; NSERC of Canada Postdoctoral Fellowship, Texas A & M University; Materials Science and Technology Division Postdoctoral Fellowship, Los Alamos National Laboratory. Theoretical Chemistry: development of quantum chemistry-based design tools for pharmacology and molecular electronics, computation and analysis of electronic charge and momentum distributions, development of models of molecular geometry and chemical reactivity, use of molecular modeling in chemical education. The image below is a volume rendering of the Laplacian of the electron density computed for a penamecillin molecule. This research was done with collaborators at the NASA Ames Research Center in the heart of Silicon Valley (further details here). Dr. MacDougall teaches and directs the research of both undergraduate and graduate students. Among the courses he teaches are Physical Science for non-science majors, Honors General Chemistry, Physical Chemistry for chemistry majors, and advanced topics courses for master's and doctoral students.


MacDougall, P. J. and Levit, M. C. "A Synthesis of Fluid Dynamics and Quantum Chemistry in a Momentum-Space Investigation of Molecular Wires and Diodes", pp. 139 - 150 in Computational Studies, Nanotechnology, and Solution Thermodynamics of Polymer Systems, M. D. Dadmun, A. Van Hook, Y. Melnichenko, D. Noid and R. Sumpter (eds.), Kluwer Academic (2000).

MacDougall, P. J. and Henze, C. E. " Identification of molecular reactive sites with an interactive volume rendering tool", Theoretical Chemistry Accounts, vol. 105, pp. 345 - 353 (2001).


Doctor of Arts in Chemistry, Mr. Bryan H. Long (1999), "A Quantum Chemical Study of Carbon Monoxide Adsorption on Models of the MgO (001) Surface".

Master of Science in Chemistry, Ms. Liane Jones Smith (1996), "Molecular Modeling of Dichloroalkanes, Difluoroalkanes, and n-Butane: A Study of Electric Field Gradients and the Relationship Between Bond Path Bending and the Gauche Effect".

Honors College Senior Thesis, Ms. Jaime Lynn Rheinecker (2000), "Quantum Chemical Data Mining for Insight into Classical Chemistry"

Bachelor of Science in Chemistry, Mr. Michael D. Aldridge (1997), "Hydride and Proton Addition to Formaldehyde".