Index Catalog // ScholarsArchive@OSU

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:: 15N1) Tröger base 61 from 60, and from 62 mono, triple-isotope labelled 1,2,3-triazole Tröger base 63

Creator:: Feoktistova, Taisiia
Abstract:: My work has focused on using density functional theory to elucidate mechanisms of organocatalytic and transition metal catalyzed reactions by considering competing mechanisms. In each of the three presented studies computational investigation complemented experimental work by predicting stereoselectivity or revealing origins of stereo, regio, or chemoselectivity. A study on the...
Resource Type:: Dissertation
Full Text:: ............................................................................................. 63 PBE/6-31G(d)/SMD(toluene

Creator:: Harper, Jordan L.
Abstract:: Put generally, the work I have conducted in my time at Oregon State University has been to answer two questions. The first of these is “Why do I get this particular product from this particular chemical reaction?” and the second is “How do the reagents in this chemical reaction lead...
Resource Type:: Dissertation
Full Text:: pyrrolidine catalysts.…...... 63 4.08. Major and minor TSs with para-nitro substituted pyrrolidine

Creator:: Mustard, Thomas J. L.
Abstract:: Automation of computational chemistry, while only an engineering feat, has the potential to accelerating computational research be removing all by the science. The work in this thesis mainly discusses fundamental understanding of complex chemical systems. What is not obvious are the numerous tasks necessary for this fundamental understanding. Under the...
Resource Type:: Dissertation
Full Text:: ) .......................................................................... 62 6.4.1 ηScripts Data Containers .............................................................. 63

ScholarsArchive@OSU