This again? Logic loops and catalytic cycles
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The Department of Chemistry seeks to provide students with a foundation in the fundamentals and application of chemical theories and processes of the lab. Thus prepared they me pursue careers as teachers, industry supervisors, or research chemists in a variety of domains (governmental, academic, etc).
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The Department of Chemistry was founded in 1880.
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1880-present
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- College of Liberal Arts and Sciences (parent college)
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Abstract
This dissertation is composed of chapters that are published, in preparation for journal submission or currently unpublished. Chapter 2 covers the development of a prototype Hartree-Fock Self-Consistent Field code using a distributed task based task manager. Chapter 3 is a computational study of the extensive reaction mechanisms of the zirconium catalysis of 4-penteneamine into 2-methylpyrrolidine. Chapters 4-7 describe the synthesis of various catalysts from experimental collaborators, the characterization of which includes some computational results obtained by me.