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Examination and Development of the Correlation Consistent Composite Approach

Description: The primary focus of this dissertation is the advancement of the correlation consistent composite approach (ccCA) methodology from its original formulation to the current implementation. Although for large main group test sets which contained both first- (Li-Ne) and second-row (Na-Ar) species ccCA produced chemical accuracy (generally estimated as a deviation of ~1 kcal mol-1 from reliable experiment), the second-row species were smaller in molecular size in comparison to their corresponding f… more
Date: December 2010
Creator: Williams, T. Gavin
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Surface Chemical Deposition of Advanced Electronic Materials

Description: The focus of this work was to examine the direct plating of Cu on Ru diffusion barriers for use in interconnect technology and the substrate mediated growth of graphene on boron nitride for use in advanced electronic applications. The electrodeposition of Cu on Ru(0001) and polycrystalline substrates (with and without pretreatment in an iodine containing solution) has been studied by cyclic voltammetry (CV), current-time transient measurements (CTT), in situ electrochemical atomic force microsc… more
Date: December 2010
Creator: Bjelkevig, Cameron
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Synthetic, Mechanistic, and Structural Studies of Polynuclear Metal Clusters and Hydrazido-Substituted Tantalum(V) Compounds

Description: A combined experimental and computational study on the reversible ortho-metalation exhibited by the triosmium cluster Os3(CO)10(dppm) (dppm = 1,1-bis(diphenylphosphino)methane is reported. The conversion of nonacarbonyl cluster HOs3(CO)9[-PhP(C6H4)CH2PPh2] to Os3(CO)10(dppm) is independent of added CO and exhibits a significant inverse equilibrium isotope effect (EIE). Reductive coupling of the C-H bond in HOs3(CO)9[-PhP(C6H4)CH2PPh2] leads to the formation of agostic C-H and tw… more
Date: December 2010
Creator: Huang, Shih-Huang
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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