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Neutron Activation Analysis: Clinical and Biological Studies of Manganese

Description: A strong motivation for metabolic investigations of essential metals lies with the simple fact that these elements are primordial metabolites and building blocks of living matter, a truism largely forgotten today. Among them, the metals of the first transition group display high physical and chemical flexibility: They can concomitantly coordinate natural or artificial ligands; they can regulate electron and proton transport; they can act as catalysts or as cofactors to catalysis.
Date: December 24, 1963
Creator: Cotzias, G. C.; Papavasiliou, P. S. & Miller, S. T.
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
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Facile and Regioselective C H Bond Activation of Aromatic Substrates by an Fe (II) Complex Involving a Spin-Forbidden Pathway

Description: Article discussing facile and regioselective C H bond activation of aromatic substrates by an Fe(II) complex involving a spin-forbidden pathway.
Date: unknown
Creator: Kalman, Steven E.; Petit, Alban; Gunnoe, T. Brent; Ess, Daniel H.; Cundari, Thomas R., 1964- & Sabat, Michal
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
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Reactivity of Five-Coordinate Intermediates Derived from (Chelate) Tetracarbonylmetal (0) Complexes

Description: The reactivity of the [(Phen)Cr(CO)_3] intermediate with phosphines and phosphites (L) has been investigated through ligand-competition studies. This intermediate possesses virtually no ability to discriminate among L. The agreement between reactivity data for the thermal and photochemically-generated intermediates indicates that the same intermediate is produced via each process. Pulsed laser flash photolysis of (n^2-NP)M(CO)_4 (I) (M = Cr, Mo; NP = 1-diethylamino-2-diphenylphosphinoethane) in… more
Date: December 1983
Creator: Mansour, Saber E. (Saber El-Sayed)
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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Mn Interstitial Diffusion in (Ga, Mn)As

Description: This article describes a combined theoretical and experimental study of the ferromagnetic semiconductor (Ga, Mn)As which explains the remarkably lard changes observed on low-temperature annealing.
Date: January 23, 2004
Creator: Edmonds, Kevin; Boguslawski, Piotr; Wang, K. Y.; Campion, Richard Paul; Novikov, Sergei; Farley, N. R. S. et al.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
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Synthesis and Reactivity of a Coordinatively Unsaturated Ruthenium(II) Parent Amido Complex: Studies of X-H Activation (X = H or C)

Description: Article discussing the synthesis and reactivity of a coordinatively unsaturated Ruthenium(II) parent amido complex and studies of X-H activation (X = H or C).
Date: April 27, 2004
Creator: Conner, David; Jayaprakash, K. N.; Cundari, Thomas R., 1964- & Gunnoe, T. Brent
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
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Effects of covalency on the p-shell photoemission of transition metals: MnO

Description: This article discusses the effects of covalency on the p-shell photoemission of transition metals. The treatment of covalency has not been included previously in ab initio theoretical studies of the 2p-shell XPS of transition-metal complexes. In this work, covalent interactions between the metal and ligands are treated on an equal footing with spin-orbit splittings.
Date: April 13, 2006
Creator: Bagus, Paul S. & Ilton, Eugene S.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
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Quantitative Computational Thermochemistry of Transition Metal Species

Description: This article discusses quantitative computational thermochemistry of transition metal species. The correlation consistent Composite Approach (ccCA), which has been shown to achieve chemical accuracy (±1 kcal mol⁻¹) for a large benchmark set of main group and s-block metal compounds, is used to compute enthalpies of formation for a set of 17 3d transition metal species.
Date: May 15, 2007
Creator: DeYonker, Nathan J.; Peterson, Kirk A.; Steyl, Gideon; Wilson, Angela K. & Cundari, Thomas R., 1964-
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
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Molybdenum and Tungsten Structural Differences are Dependent on ndz2/(n + 1)ѕ Mixing: Comparisons of (silox)3MX/R (M = Mo, W; silox = tBu3SiO)

Description: Article discussing molybdenum and tungsten structural differences being dependent on ndz2/(n + 1)s mixing and a comparison of (silox)3MX/R (M = Mo, W; silox - tBu3SiO).
Date: July 15, 2008
Creator: Kuiper, David S.; Douthwalte, Richard E.; Mayoi, Ana-Rita; Wolczanski, Peter T.; Lobkovsky, Emil B.; Cundari, Thomas R., 1964- et al.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
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Performance of Density Functional Theory for 3d Transition Metal-Containing Complexes: Utilization of the Correlation Consistent Basis Sets

Description: Article discussing the performance of density functional theory for 3d transition metal-containing complexes and the utilization of the correlation consistent basis sets.
Date: July 2, 2009
Creator: Tekarli, Sammer M.; Drummond, Michael L.; Williams, T. Gavin; Cundari, Thomas R., 1964- & Wilson, Angela K.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
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Modeling Transition Metal Chemistry for Catalytic Functionalization of Molecules

Description: The diversity of transition metal complexes allows for a wide range of chemical processes to be mediated by the metal, from catalysis to surface chemistry. Investigations into the structure and electronic configuration of transition metal complexes allow for tuning of desired species by modifications to the ligands and/or metals to achieve more efficient thermodynamics and kinetics for the process of interest. Transition metals, often used in catalysts for a number of important processes, requi… more
Date: August 2011
Creator: Morello, Glenn
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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Toward Accurate Theoretical Thermochemistry of First Row Transition Metal Complexes

Description: This article uses the recently developed correlation consistent Composite Approach for transition metals to compute the thermochemical properties for a collection of 225 inorganic molecules containing first row (3d) transition metals.
Date: November 22, 2011
Creator: Jiang, Wanyi; DeYonker, Nathan J. & Wilson, Angela K.
Item Type: Refine your search to only Article
Partner: UNT College of Arts and Sciences
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First-principles study of diffusion and interactions of hydrogen with silicon, phosphorus, and sulfur impurities in nickel

Description: Article systematically studying the effect of Si, P, and S impurities on the diffusion and binding of an H atom in a face-centered-cubic (FCC) Ni lattice using density functional theory (DFT),
Date: March 26, 2019
Creator: Paranjape, Priyanvada; Gopal, Priya & Srinivasan, S. G.
Item Type: Refine your search to only Article
Partner: University of North Texas
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