Modeling the Quantum Dynamics of Hydrogen Transfer Reactions in Enzyme Catalysis
Date of Award
Honors Thesis (Open Access)
Colby College. Chemistry Dept.
Professor Nicholas Boekelheide
Professor Dasan Thamattoor
In this project, we seek to create a simple explanatory computational model to understand how the large, temperature-independent kinetic isotope effects (KIE) in hydrogen transfer reactions observed experimentally arise.
physical chemistry, computational chemistry, kinetic isotope effects, hydrogen transfer reactions, bennett-chandler method
Recommended CitationBerger, Emma G., "Modeling the Quantum Dynamics of Hydrogen Transfer Reactions in Enzyme Catalysis" (2017). Honors Theses. Paper 946.