Modeling the Quantum Dynamics of Hydrogen Transfer Reactions in Enzyme Catalysis
Date of Award
2017
Document Type
Honors Thesis (Open Access)
Department
Colby College. Chemistry Dept.
Advisor(s)
Professor Nicholas Boekelheide
Second Advisor
Professor Dasan Thamattoor
Abstract
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.
Keywords
physical chemistry, computational chemistry, kinetic isotope effects, hydrogen transfer reactions, bennett-chandler method
Recommended Citation
Berger, Emma G., "Modeling the Quantum Dynamics of Hydrogen Transfer Reactions in Enzyme Catalysis" (2017). Honors Theses. Paper 946.https://digitalcommons.colby.edu/honorstheses/946