Project Overview

Applications of Density Functional Theory to Chemical Reaction Mechanisms

Faculty Sponsor

Jason Keith (




Students will work to understanding and modelling transition metal catalyzed small molecule activation reactions. In short students will learn how to use computers to model the quantum mechanics governing chemical structure and reactivity. Through this work the students will learn Linux computing, as well as concepts in chemical reaction mechanisms, chemical electronic structure and bonding, thermodynaics and kinetics. Projects can be tailored somewhat to student interests. 

Student Qualifications

Chem 101/102 or 111 required
Chem 212 or 263/264 preferred
All other Chemistry beneficial
Students at all levels will be considered

Number of Student Researchers

2 students

Project Length

8-10 weeks

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If you have questions, please contact Karyn Belanger (