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Now showing items 171-180 of 217
First Principle Studies on Ground and Excited Electronic States: Chemical Bonding in Main-Group Molecules, Molecular Systems with Diffuse Electrons, and Water Activation using Transition Metal Monoxides
(2021-03-01)
Potential energy profiles can be used to investigate the origins of chemical bonding of molecules. Such profiles were adopted to show the propagation of lone pair electrons of N2(X1Σg+) to the vacant orbital of O(1D) or ...
Identifying the Knowledge and Skills that Doctoral Chemists Require in the Workplace
(2021-04-16)
In 2012, the National Research Council and the American Chemical Society reported many critiques of graduate education in the chemical sciences that do not adequately prepare students for the interdisciplinary careers for ...
Emission Properties of Coordination Complexes: The Impact of Mixed Donors on f-Block Elements
(2021-04-16)
There is a growing need to understand the fundamental aspects of chemistry concerning f-elements. Whether it be through the use of softer donor systems to try and selectively coordinate actinide ions in solution which could ...
Reversible and Irreversible Light-Induced Reactions Initiated BY SPEEK/PVA Polymer Systems
(2021-04-13)
Illumination of sulfonated poly(ether etherketone), SPEEK, and polyvinyl alcohol, PVA, in the presence of thionine (Th) results in systems exhibiting reversible redox processes. Efficient reduction of thionine took place ...
Development and Synthesis of Mononuclear Superoxide Dismutase Mimics and Magnetic Resonance Imaging Contrast Agents
(2021-04-26)
Over the past few years the Goldsmith group has reported mononuclear superoxide
dismutase mimics and Mn(II) complexes with redox-active quinols that display rapid T1-
weighted responses to H2O2. This dissertation will ...
Reaction Mechanisms of One- and Two-Electron Oxidations of Alkanesulfinates in Aqueous Media
(2021-04-01)
The one-electron oxidation reactions of L-cysteinesulfinic acid (CSA) and methanesulfinate (MSA) with bis(1,4,7-triazacyclononane)nickel(III) and tris(1,10- phenanthroline)osmium(III) were investigated in aqueous media. ...
Synthesis and Electrochemical Characterization of Ternary Metal Oxides
(2021-04-14)
Metal oxides are an incredibly diverse class of materials that have found significant utility in the development of emerging solar conversion technologies. Their varied electronic properties allow them to function as charge ...
Automated Microfluidic Droplet Generation and Merging with Integrated Salt-water Electrodes for Analyte Quantification and Monitoring of Endocrine Tissue Secretion Dynamics
(2021-05-21)
Adipose tissue, playing an important role in the global epidemic obesity and diabetes, has attracted extensive attention in recent decades. However, quantitative measurement of dynamics of nutrient uptake and metabolic ...
Electronic Structure Calculations of Weak Intermolecular Interactions
(2021-07-20)
This thesis focuses on a novel the application of Symmetry-Adapted
Perturbation Theory (SAPT), Functional-group SAPT (F-SAPT), and
F-SAPT difference analysis to
chiral self-recognition. In addition to these, a variety ...
Novel Enzymes and Catalytic Mechanisms in Tetrapyrrole Metabolism: a Nitrogenase Homolog and a Noncanonical Heme Oxygenase
(2021-07-20)
Methane is the major component of natural gas, which accounts for approximately one quarter of the world’s energy demands. There are many advantages to using methane as a fuel. Methane is an abundance resource. A huge ...