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Computational studies of three chemical systems
(University of Missouri--Columbia, 2011)
The subject of this dissertation is the use of electronic structure calculations to examine and supplement the experimental observations of three different chemical systems. Both ab initio and DFT methods have been employed. ...
Low temperature reaction kinetics inside an extended Laval nozzle : REMPI characterization and detection by broadband rotational spectroscopy
(University of Missouri--Columbia, 2023)
[EMBARGOED UNTIL 12/1/2024] The importance of reaction kinetics at low temperatures cannot be overstated, for its impact on human understanding of atmospheric and astrochemical environments is fundamental. Bringing the study of these interactions...
Oxidative molecular layer deposition of redox-active thin-film polymers
(University of Missouri--Columbia, 2022)
Thin film materials research for a more sustainable future is growing rapidly and new techniques for depositing these films are beginning to surface. One such technique is highlight in this body of work using gaseous ...
Ab-initio and thermodynamic study of 123I-MIBG and 76Br-MBBG : choosing an effective tracer and theoretical study of the binding mechanism of 1-allyl 2-Thiourea as a functional monomer of Methyl Nitrate template
(University of Missouri--Columbia, 2023)
The study of mechanisms of reactions, how molecules bind, reaction energetics, and thermochemistry of chemical reactions is possible computationally. This is because computational methods are well able to help understand ...
Synthesis and structure-activity relationship of a series of sigma receptor ligands
(University of Missouri--Columbia, 2007)
Sigma receptors are involved in several biological processes, and sigma ligands might be promising as cancer treatment agents, cocaine abuse medicines, and valuable psychiatric drugs. In an attempt to elucidate effectual ...
Design and synthesis of group 8 transition metal complexes for C-C bond forming valorization of carbon dioxide
(University of Missouri--Columbia, 2023)
The abundancy of carbon dioxide (CO2) in Earth's atmosphere combined with its inexpensive cost and low toxicity has made CO2 upconversion to value added products an area of intense interest in catalysis research. While a ...
Nitrosative guanosine deamination : pyrimidine ring opening implications of effects in homogeneous solution as well as anisotropic environments
(University of Missouri--Columbia, 2007)
[ACCESS RESTRICTED TO THE UNIVERSITY OF MISSOURI AT REQUEST OF AUTHOR.] In recent years a great deal of interest has been focused on the exposure to nitrous acid (HNO2), nitric oxide (NO) and other nitrosating species because they are mutagenic...