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Filtering by: Funding statement Financial support through a grant from the NIH (R01GM097637) is gratefully acknowledged. Committee Member Carter, Rich

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:

secondary organic aerosols (SOA) formed from the ozonolysis of a-pinene. IRMPD requires a very small
Using Computational Methods to Elucidate Reaction Mechanisms for Copper Catalyzed Reactions

Creator:

Caspary, Katherine E.

Abstract:

In this report, two studies are presented that utilize computations to predict and elucidate the reaction mechanisms of two different copper catalyzed reactions. Each study provides insight into the various chemical transformations, as well as the how and why behind regioselectivity and isotopic selectivity. The importance of this research is...

Resource Type:

Masters Thesis

Full Text:

Grant P20GM103418. PHYC is the Bert and Emelyn Christensen professor of OSU, and gratefully

ScholarsArchive@OSU

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

Using Computational Methods to Elucidate Reaction Mechanisms for Copper Catalyzed Reactions

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