Title

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

This document is not available online

Share

COinS