Steven Davis
Professor of Chemistry and Biochemistry
Phone Number: (662)915-5981
Email: davis@olemiss.edu
http://www.olemiss.edu/depts/chemistry/faculty/index.php?faculty_id=5

Key Words: Computational chemistry

Research Description: Computational chemistry.

The overall goal of our research is the elucidation of chemical pathways and characterizing reactive intermediates.

We perform ab initio quantum chemistry calculations to determine potential energy surfaces. Both single and mutlireference methods are used.

We are developing a theory of chemical reactivity to predict reaction products through metrics derived from the wavefunction and through terms in the Hamiltonian for the molecular system.

We welcome Honor's College students who wish to pursue research in the chemical sciences but who like doing chemistry on a computer instead of using fuming chemicals.

Honors Theses:

Praveen, Advait (2022) Ab Initio Study of the Rotation of the C_C Group in Benzvalyne (full text)

Lowry, June Dale (2008) "Cis/Trans Bond Effects on Oxepin and Reduced Derivatives"