Project Overview
Molecular Modeling of Electronic Structure, Spectroscopy, and Mechanism in Inorganic Systems
Department(s)
Chemistry
Abstract
The Keith group uses modern computational chemistry methods, primarily Density Functional Theory (DFT), to examine chemical problems often related to energy and the environment. Some projects include examining mechanism for aerobic oxidative funcationalization of alkanes with an eye toward cutting down waste in natural gas and oil exploration and drilling, transfer hydrogenation geared toward atom efficiency in industrial chemistry, environmental cleanup and much more. Other projects are focused at understanding basic concepts such as understanding covalent bonding involving actinides, or figuring out how transition metal-boron bonds may provide interesting electronic properties that can be utilized in catalysis.
Specific project will be determined based on group needs at the time of the project and somewhat on student interest.
Student Qualifications
Chem 111 or 101/102 required
Chem 263/264 and/or 212 preferred
Additional math, chemistry, and computer science is always a plus.
Number of Student Researchers
2 students
Project Length
8-10 weeks