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Filtering by: Creator Kennedy, Roger G. Contributor Berden, Giel Resource Type Masters Thesis

Using Computational and Statistical Methods as an Aid to Study Environmentally Relevant Organic Molecules

Creator:

Dorn, Shelby E.

Abstract:

In this report, three studies are presented that utilize computations to predict transformations, identities, and properties of environmental organic molecules. Each study shows how computations can lead to models of chemical behavior. The importance of this research is rooted in the need for understanding how human behavior and health intersect...

Resource Type:

Masters Thesis

Full Text:

. The Gibbs free energy of reaction (∆G) to form a radical anion is used to predict the oxidation